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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00008888

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CBHS-(D-CARBOXYBUTYL)-L-HOMOCYSTEINEA,B1LT80.8
CAFS-DIMETHYLARSINOYL-CYSTEINEA,B2DYB0.8
CAFS-DIMETHYLARSINOYL-CYSTEINEA1HYV0.8
CAFS-DIMETHYLARSINOYL-CYSTEINEA,B,C,D2C7V0.8
CAFS-DIMETHYLARSINOYL-CYSTEINEA1SNG0.8
CAFS-DIMETHYLARSINOYL-CYSTEINEA2IWR0.8
CAFS-DIMETHYLARSINOYL-CYSTEINEA2FAU0.8
CAFS-DIMETHYLARSINOYL-CYSTEINEA1HYZ0.8
CAFS-DIMETHYLARSINOYL-CYSTEINEA3F7D0.8
CML(2S)-2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}butanedioic acidA2RHY0.84
CML(2S)-2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}butanedioic acidA2RHU0.84
CML(2S)-2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}butanedioic acidA2RI20.84
CML(2S)-2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}butanedioic acidA2RI30.84
CML(2S)-2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}butanedioic acidA2RI50.84
CML(2S)-2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}butanedioic acidA2RHZ0.84
CSAS-ACETONYLCYSTEINEA,B1DWQ0.85
BUCS,S-BUTYLTHIOCYSTEINEA1A2U0.78
0CS3-[(S)-HYDROPEROXYSULFINYL]-L-ALANINEA2OGS0.71
CS0S-(2-HYDROXYETHYL)-L-CYSTEINEA1ASV0.85
2COS-HYDROPEROXYCYSTEINEA3ELN0.76
BSC(S)-2-AMINO-4-(AMINO-BUTYLHYDROSULFINYL)BUTANOIC ACIDA,B,C,D,E,F,
G,H
2GWC0.74
2FMS-(DIFLUOROMETHYL)HOMOCYSTEINEA1PFV0.78
CASS-(DIMETHYLARSENIC)CYSTEINEA,B3G2F0.8
CASS-(DIMETHYLARSENIC)CYSTEINEA,B1FU10.8
CASS-(DIMETHYLARSENIC)CYSTEINEA2IM20.8
CASS-(DIMETHYLARSENIC)CYSTEINEA,B2CJW0.8
CASS-(DIMETHYLARSENIC)CYSTEINEA,B2JBH0.8
CASS-(DIMETHYLARSENIC)CYSTEINEA1JQ60.8
CASS-(DIMETHYLARSENIC)CYSTEINEB2HZE0.8
CASS-(DIMETHYLARSENIC)CYSTEINEA2IM30.8
CASS-(DIMETHYLARSENIC)CYSTEINEA2H790.8
CASS-(DIMETHYLARSENIC)CYSTEINEA2ILZ0.8
CASS-(DIMETHYLARSENIC)CYSTEINEA2IM10.8
CASS-(DIMETHYLARSENIC)CYSTEINEA1RA60.8
CASS-(DIMETHYLARSENIC)CYSTEINEA1TQL0.8
CASS-(DIMETHYLARSENIC)CYSTEINEA2RA80.8
CASS-(DIMETHYLARSENIC)CYSTEINEA,B1I830.8
CASS-(DIMETHYLARSENIC)CYSTEINEA,B3E7S0.8
CASS-(DIMETHYLARSENIC)CYSTEINEA,B1ZZS0.8
CASS-(DIMETHYLARSENIC)CYSTEINEA2ILY0.8
CASS-(DIMETHYLARSENIC)CYSTEINEA2IM00.8
CASS-(DIMETHYLARSENIC)CYSTEINEX3GWS0.8
CASS-(DIMETHYLARSENIC)CYSTEINEA,B2W9J0.8
CASS-(DIMETHYLARSENIC)CYSTEINEA,B1ZZT0.8
CASS-(DIMETHYLARSENIC)CYSTEINEA2H770.8
CASS-(DIMETHYLARSENIC)CYSTEINEA1FYX0.8
CASS-(DIMETHYLARSENIC)CYSTEINEA,B2HMH0.8
CASS-(DIMETHYLARSENIC)CYSTEINEA1BHL0.8
CASS-(DIMETHYLARSENIC)CYSTEINEA,B,C1FF30.8
CASS-(DIMETHYLARSENIC)CYSTEINEA1R4X0.8
CASS-(DIMETHYLARSENIC)CYSTEINEA1S6C0.8
CASS-(DIMETHYLARSENIC)CYSTEINEA1RA70.8
CASS-(DIMETHYLARSENIC)CYSTEINEA,B3ET60.8
CASS-(DIMETHYLARSENIC)CYSTEINEA1FYW0.8
2MT(4R)-2,2-DIMETHYL-1,3-THIAZOLIDINE-
4-CARBOXYLIC ACID
A1SBU0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1HW40.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,C,D,E,F2C5Q0.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEI,J,K,L,M,N,
O,P
1JZ10.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,D2C4O0.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2GEV0.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1HQS0.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2G5O0.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2G4L0.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,G,H3CFA0.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,C,D1PZG0.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2B1V0.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1Q9U0.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1QQQ0.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1XM40.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1WDR0.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2EF80.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1XMY0.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEI,J,K,L,M,N,
O,P
1JYZ0.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA3EWY0.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1PME0.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,C,D1Y8Z0.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1YI40.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA3EWX0.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2VB00.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2FAI0.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,C,D1QVV0.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA3FS50.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1XOS0.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2GES0.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1XMU0.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1J3H0.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,D2CLW0.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEB,D,F,H,J,L1YKO0.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1ELJ0.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEE1R8M0.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,G,H3CFF0.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1XOT0.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1EUD0.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1EVF0.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2OQX0.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1Y2J0.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA3C7Q0.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1QVW0.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,C,D1K2X0.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1ZKY0.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2A2J0.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1EV80.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1WZ90.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1YHS0.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2GA80.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2GAA0.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2P3B0.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,I1ZPK0.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2B1Z0.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1A1V0.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1A2T0.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1Y2H0.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1YPV0.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,C,D,E,F,
G,H
1JYY0.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,I1Z8C0.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2QXS0.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B3ET00.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2P3A0.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1KSH0.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,G,H3CFH0.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2V1P0.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1OCS0.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2G440.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2J830.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1EV50.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1L6Y0.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2V0Y0.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2Q590.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1JVY0.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2P3C0.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2AQ50.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,E1S9D0.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1JEO0.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2CZL0.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2OCF0.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1YI30.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,C,D,E,F,
Y,Z
2OX50.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1EVG0.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2RD80.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2B230.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,C1HQG0.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2CFA0.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEI,J,K,L,M,N,
O,P
1GHO0.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1XLX0.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEB,D,F,H,J,L1YKK0.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1HW30.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,C,D1JN90.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,D,F,H,J,L1YKP0.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1XLZ0.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1TAZ0.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2GET0.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2QA80.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2QZO0.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1XV50.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,C,D,E,F,
G,H
1JZ00.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1XN00.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1UPI0.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEB,D,F,H,J,L1YKM0.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1XM60.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEB,D,F,H,J,L1YKN0.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2ONB0.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1TLV0.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,C,D1HVY0.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B3D6I0.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1OCU0.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,I1ZBG0.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2GEU0.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2HAI0.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1EUC0.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,C,D,E,F,
G,H
1F490.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1L6S0.75
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1KSJ0.75
C3YS-[(1S)-1-HYDROXY-1-(HYDROXYAMINO)ETHYL]-
L-CYSTEINE
A2UXY0.8
C5CS-CYCLOPENTYL THIOCYSTEINEA1A3V0.73
CCSCARBOXYMETHYLATED CYSTEINEE1STF0.93
CCSCARBOXYMETHYLATED CYSTEINEA,B,C,D,E,F1GTI0.93
CCSCARBOXYMETHYLATED CYSTEINEA,B2BJ40.93
CCSCARBOXYMETHYLATED CYSTEINEA,B2JFA0.93
CCSCARBOXYMETHYLATED CYSTEINEG,R1DSS0.93
CCSCARBOXYMETHYLATED CYSTEINEA,B1L2I0.93
CCSCARBOXYMETHYLATED CYSTEINEA,B,C,D3DMT0.93
CCSCARBOXYMETHYLATED CYSTEINEA,B1ERR0.93
CCSCARBOXYMETHYLATED CYSTEINEA2JX40.93
AEA(2-AMINO-2-CARBAMOYL-ETHYLSULFANYL)-
ACETIC ACID
I1BZH0.83
AEA(2-AMINO-2-CARBAMOYL-ETHYLSULFANYL)-
ACETIC ACID
A,B,C,D1MHH0.83
C6CS-CYCLOHEXYL THIOCYSTEINEA1A3U0.71
CMTO-METHYLCYSTEINEG1OMW0.78
CMTO-METHYLCYSTEINEA,G3CIK0.78
CMTO-METHYLCYSTEINEA1DOA0.78
CMHS-(METHYLMERCURY)-L-CYSTEINEA,B,C,D1WB20.8
CMHS-(METHYLMERCURY)-L-CYSTEINEA2FOU0.8
CMHS-(METHYLMERCURY)-L-CYSTEINEA2FOS0.8
CMHS-(METHYLMERCURY)-L-CYSTEINEA2NNS0.8
CMHS-(METHYLMERCURY)-L-CYSTEINEA2FOV0.8
CMHS-(METHYLMERCURY)-L-CYSTEINEA,B,C,D1WB30.8
CMHS-(METHYLMERCURY)-L-CYSTEINEA,B,C,D1WB10.8
CMHS-(METHYLMERCURY)-L-CYSTEINEA2NNG0.8
CMHS-(METHYLMERCURY)-L-CYSTEINEA2NNO0.8
CMHS-(METHYLMERCURY)-L-CYSTEINEA2NNV0.8
CMHS-(METHYLMERCURY)-L-CYSTEINEA2FOQ0.8