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Browsing CypCompounds in CypBoM Training Set

*Bonds of Metabolism (BoMs) are listed for each cytochrome P450 (CYP) enzyme

Displaying compounds 76 - 100 of 679 in total
CypComp ID Name Structure ImageCYP1A2CYP2A6CYP2B6CYP2C8CYP2C9CYP2C19CYP2D6CYP2E1CYP3A4
CC02045TangeretinUlsuxbxhsysgdt uhfffaoysa n
  • <27,26;Cleavage;R1>
  • <27,H;Oxidation;R1>
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • <27,26;Cleavage;R1>
  • <27,H;Oxidation;R1>
  • Not Available
  • <27,26;Cleavage;R1>
  • <27,H;Oxidation;R1>
  • <20,15;Cleavage;R2>
  • <20,H;Oxidation;R2>
  • <19,14;Cleavage;R2>
  • <19,H;Oxidation;R2>
  • (show allshow less)
CC02299TamsulosinDrhkjlxjiqtdtd oahllokosa n
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • <25,H;Hydroxylation;R1>
  • <12,6;Cleavage;R2>
  • <12,H;Oxidation;R2>
  • Not Available
  • <27,24;Cleavage;R1>
  • <27,H;Oxidation;R1>
  • <17,15;Cleavage;R2>
  • <17,H;Oxidation;R2>
CC02044TamoxifenNkanxqfjjicgdu qplcgjkrsa n
  • <27,26;Cleavage;R1>
  • <27,H;Oxidation;R1>
  • <28,26;Cleavage;R2>
  • <28,H;Oxidation;R2>
  • Not Available
  • <22,H;Hydroxylation;R1>
  • <21,H;Hydroxylation;R2>
  • <27,26;Cleavage;R1>
  • <27,H;Oxidation;R1>
  • <28,26;Cleavage;R2>
  • <28,H;Oxidation;R2>
  • <27,26;Cleavage;R1>
  • <27,H;Oxidation;R1>
  • <28,26;Cleavage;R2>
  • <28,H;Oxidation;R2>
  • <27,26;Cleavage;R1>
  • <27,H;Oxidation;R1>
  • <28,26;Cleavage;R2>
  • <28,H;Oxidation;R2>
  • <21,H;Hydroxylation;R3>
  • <27,26;Cleavage;R1>
  • <27,H;Oxidation;R1>
  • <28,26;Cleavage;R2>
  • <28,H;Oxidation;R2>
  • <21,H;Hydroxylation;R3>
  • <22,H;Hydroxylation;R4>
  • <6,H;Hydroxylation;R5>
  • (show allshow less)
  • <27,26;Cleavage;R1>
  • <27,H;Oxidation;R1>
  • <28,26;Cleavage;R2>
  • <28,H;Oxidation;R2>
  • <21,H;Hydroxylation;R3>
  • <27,26;Cleavage;R1>
  • <27,H;Oxidation;R1>
  • <28,26;Cleavage;R2>
  • <28,H;Oxidation;R2>
  • <21,H;Hydroxylation;R3>
  • <22,H;Hydroxylation;R4>
  • <6,H;Hydroxylation;R5>
  • (show allshow less)
CC02095TAMEHvzjrwjgkqpsfl uhfffaoysa n
  • Not Available
  • <7,6;Cleavage;R1>
  • <7,H;Oxidation;R1>
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • <7,6;Cleavage;R1>
  • <7,H;Oxidation;R1>
  • Not Available
CC02043TamarixetinFplmipqzhhqwhn uhfffaoysa n
  • <23,22;Cleavage;R1>
  • <23,H;Oxidation;R1>
  • Not Available
  • Not Available
  • Not Available
  • <23,22;Cleavage;R1>
  • <23,H;Oxidation;R1>
  • Not Available
  • Not Available
  • Not Available
  • <23,22;Cleavage;R1>
  • <23,H;Oxidation;R1>
CC02042TacrineYljrefdvoibqda uhfffaoysa n
  • <4,H;Hydroxylation;R1>
  • <14,H;Hydroxylation;R2>
  • <7,H;Hydroxylation;R3>
  • <3,H;Hydroxylation;R4>
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
CC02256SuprofenMdkgkxocjgeujw secbinfhsa n
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • <3,H;Hydroxylation;R1>
  • Not Available
  • Not Available
  • Not Available
  • Not Available
CC02243Sulfinpyrazone sulfidePlgxgmujuxkcdd uhfffaoysa n
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • <2,S;S-Oxidation;R1>
  • <5,H;Hydroxylation;R2>
  • <19,H;Hydroxylation;R3>
  • <24,H;Hydroxylation;R4>
  • Not Available
  • Not Available
  • Not Available
  • <2,S;S-Oxidation;R1>
  • <5,H;Hydroxylation;R2>
  • <19,H;Hydroxylation;R3>
  • <24,H;Hydroxylation;R4>
CC02452SulfinpyrazoneMbggbvcuivrrbf ljaqvgfwsa n
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • <2,29;Reduction;R1>
  • Not Available
  • Not Available
  • Not Available
  • <2,S;S-Oxidation;R1>
  • <2,29;Reduction;R2>
CC02242SulfamethoxazoleJlkigftwxxrpmt uhfffaoysa n
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • <14,H;Hydroxylation;R1>
  • Not Available
  • Not Available
  • Not Available
  • Not Available
CC02149SulfadiazineSeepanycngtzfq uhfffaoysa n
  • Not Available
  • Not Available
  • <14,H;Hydroxylation;R1>
  • <14,H;Hydroxylation;R1>
  • <14,H;Hydroxylation;R1>
  • <14,H;Hydroxylation;R1>
  • Not Available
  • Not Available
  • Not Available
CC02041StyrenePpbrxryqalvlmv uhfffaoysa n
  • <3,4;EpOxidation;R1>
  • <3,4;EpOxidation;R1>
  • <3,4;EpOxidation;R1>
  • <3,4;EpOxidation;R1>
  • <3,4;EpOxidation;R1>
  • Not Available
  • <3,4;EpOxidation;R1>
  • <3,4;EpOxidation;R1>
  • <3,4;EpOxidation;R1>
CC02337Stearic acidQiqxthqidytfrh uhfffaoysa n
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • <2,H;Hydroxylation;R1>
  • Not Available
CC02298SpirosulfonamideYosanfhyuvsqij uhfffaoysa n
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • <27,H;Hydroxylation;R1>
  • Not Available
  • Not Available
CC02297SparteineSlrccwjsbjzjbv zqdzilkhsa n
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • <8,N;N-Oxidation;R1>
  • <5,N;N-Oxidation;R2>
  • Not Available
  • Not Available
CC02255SNI-2011Wutyzmfrcnbchq psasiedqsa n
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • <9,S;S-Oxidation;R1>
  • Not Available
  • <9,S;S-Oxidation;R1>
  • Not Available
  • <9,S;S-Oxidation;R1>
CC02094SM-12502Fzxaqgvgsaanbr gmsgaonnsa n
  • Not Available
  • <7,S;S-Oxidation;R1>
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
CC02451SirolimusQfjcirlumzquot hpljoqbzsa n
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • <44,38;Cleavage;R1>
  • <44,H;Oxidation;R1>
  • <51,46;Cleavage;R2>
  • <51,H;Oxidation;R2>
  • <63,H;Hydroxylation;R3>
  • <62,H;Hydroxylation;R4>
  • <58,H;Hydroxylation;R5>
  • <22,H;Hydroxylation;R6>
  • <17,H;Hydroxylation;R7>
  • (show allshow less)
CC02223Simvastatin hydroxy acidXwlxkknpfmnsfa srirljbesa n
  • Not Available
  • Not Available
  • Not Available
  • <15,H;Hydroxylation;R1>
  • <22,H;Hydroxylation;R1>
  • <23,21;Oxidation;R2>
  • <15,H;Hydroxylation;R3>
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • <15,H;Hydroxylation;R1>
  • <22,H;Hydroxylation;R1>
  • <23,21;Oxidation;R2>
  • <15,H;Hydroxylation;R3>
CC02450SimvastatinRymzzmvnjrmudd hgqwonqesa n
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • <20,22;Dehydrogenation;R1>
  • <14,H;Hydroxylation;R2>
  • <20,21;Oxidation;R2>
  • <21,15;Reduction;R2>
  • <15,16;Oxidation;R2>
  • <16,14;Reduction;R2>
  • <14,H;Hydroxylation;R3>
  • <21,H;Hydroxylation;R3>
  • <21,15;Reduction;R3>
  • <15,16;Oxidation;R3>
  • <16,14;Reduction;R3>
  • (show allshow less)
CC02196SildenafilBnrnxuuzrgqaqc uhfffaoysa n
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • <7,4;Cleavage;R1>
  • <7,H;Oxidation;R1>
  • <7,4;Cleavage;R1>
  • <7,H;Oxidation;R1>
  • <7,4;Cleavage;R1>
  • <7,H;Oxidation;R1>
  • Not Available
  • <7,4;Cleavage;R1>
  • <7,H;Oxidation;R1>
CC02148SibutramineUnaanxdkbxwmln inizcteosa n
  • Not Available
  • Not Available
  • <13,2;Cleavage;R1>
  • <13,H;Oxidation;R1>
  • <14,2;Cleavage;R2>
  • <14,H;Oxidation;R2>
  • Not Available
  • Not Available
  • <13,2;Cleavage;R1>
  • <13,H;Oxidation;R1>
  • <14,2;Cleavage;R2>
  • <14,H;Oxidation;R2>
  • Not Available
  • Not Available
  • <13,2;Cleavage;R1>
  • <13,H;Oxidation;R1>
  • <14,2;Cleavage;R2>
  • <14,H;Oxidation;R2>
CC02040SertralineVgkdlmbjgbxtgi sjcjkpomsa n
  • <20,17;Cleavage;R1>
  • <20,H;Oxidation;R1>
  • <20,17;Cleavage;R1>
  • <20,H;Oxidation;R1>
  • <20,17;Cleavage;R1>
  • <20,H;Oxidation;R1>
  • <20,17;Cleavage;R1>
  • <20,H;Oxidation;R1>
  • <20,17;Cleavage;R1>
  • <20,H;Oxidation;R1>
  • <20,17;Cleavage;R1>
  • <20,H;Oxidation;R1>
  • <8,17;Cleavage;R2>
  • <8,H;Oxidation;R2>
  • <20,17;Cleavage;R1>
  • <20,H;Oxidation;R1>
  • <20,17;Cleavage;R1>
  • <20,H;Oxidation;R1>
  • <20,17;Cleavage;R1>
  • <20,H;Oxidation;R1>
  • <8,17;Cleavage;R2>
  • <8,H;Oxidation;R2>
CC02317SertindoleGzkljwgupqbvjq uhfffaoysa n
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • <27,H;Hydroxylation;R1>
  • <28,H;Hydroxylation;R2>
  • Not Available
  • <22,21;Cleavage;R1>
  • <22,H;Oxidation;R1>
CC02449SERM-ITwznctcqagrugq rrpnlbnlsa n
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • <33,28;Cleavage;R1>
  • <29,28;Cleavage;R1>
  • <33,H;Oxidation;R1>
  • <29,H;Oxidation;R1>
  • <10,S;S-Oxidation;R2>
Displaying compounds 76 - 100 of 679 in total