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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03505695

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CAFS-DIMETHYLARSINOYL-CYSTEINEA,B2DYB0.82
CAFS-DIMETHYLARSINOYL-CYSTEINEA1HYV0.82
CAFS-DIMETHYLARSINOYL-CYSTEINEA,B,C,D2C7V0.82
CAFS-DIMETHYLARSINOYL-CYSTEINEA1SNG0.82
CAFS-DIMETHYLARSINOYL-CYSTEINEA2IWR0.82
CAFS-DIMETHYLARSINOYL-CYSTEINEA2FAU0.82
CAFS-DIMETHYLARSINOYL-CYSTEINEA1HYZ0.82
CAFS-DIMETHYLARSINOYL-CYSTEINEA3F7D0.82
CMTO-METHYLCYSTEINEG1OMW0.8
CMTO-METHYLCYSTEINEA,G3CIK0.8
CMTO-METHYLCYSTEINEA1DOA0.8
CASS-(DIMETHYLARSENIC)CYSTEINEA,B3G2F0.82
CASS-(DIMETHYLARSENIC)CYSTEINEA,B1FU10.82
CASS-(DIMETHYLARSENIC)CYSTEINEA2IM20.82
CASS-(DIMETHYLARSENIC)CYSTEINEA,B2CJW0.82
CASS-(DIMETHYLARSENIC)CYSTEINEA,B2JBH0.82
CASS-(DIMETHYLARSENIC)CYSTEINEA1JQ60.82
CASS-(DIMETHYLARSENIC)CYSTEINEB2HZE0.82
CASS-(DIMETHYLARSENIC)CYSTEINEA2IM30.82
CASS-(DIMETHYLARSENIC)CYSTEINEA2H790.82
CASS-(DIMETHYLARSENIC)CYSTEINEA2ILZ0.82
CASS-(DIMETHYLARSENIC)CYSTEINEA2IM10.82
CASS-(DIMETHYLARSENIC)CYSTEINEA1RA60.82
CASS-(DIMETHYLARSENIC)CYSTEINEA1TQL0.82
CASS-(DIMETHYLARSENIC)CYSTEINEA2RA80.82
CASS-(DIMETHYLARSENIC)CYSTEINEA,B1I830.82
CASS-(DIMETHYLARSENIC)CYSTEINEA,B3E7S0.82
CASS-(DIMETHYLARSENIC)CYSTEINEA,B1ZZS0.82
CASS-(DIMETHYLARSENIC)CYSTEINEA2ILY0.82
CASS-(DIMETHYLARSENIC)CYSTEINEA2IM00.82
CASS-(DIMETHYLARSENIC)CYSTEINEX3GWS0.82
CASS-(DIMETHYLARSENIC)CYSTEINEA,B2W9J0.82
CASS-(DIMETHYLARSENIC)CYSTEINEA,B1ZZT0.82
CASS-(DIMETHYLARSENIC)CYSTEINEA2H770.82
CASS-(DIMETHYLARSENIC)CYSTEINEA1FYX0.82
CASS-(DIMETHYLARSENIC)CYSTEINEA,B2HMH0.82
CASS-(DIMETHYLARSENIC)CYSTEINEA1BHL0.82
CASS-(DIMETHYLARSENIC)CYSTEINEA,B,C1FF30.82
CASS-(DIMETHYLARSENIC)CYSTEINEA1R4X0.82
CASS-(DIMETHYLARSENIC)CYSTEINEA1S6C0.82
CASS-(DIMETHYLARSENIC)CYSTEINEA1RA70.82
CASS-(DIMETHYLARSENIC)CYSTEINEA,B3ET60.82
CASS-(DIMETHYLARSENIC)CYSTEINEA1FYW0.82
CSBCYS BOUND TO LEAD IONA1B6G0.76
CBHS-(D-CARBOXYBUTYL)-L-HOMOCYSTEINEA,B1LT80.79
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1HW40.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,C,D,E,F2C5Q0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEI,J,K,L,M,N,
O,P
1JZ10.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,D2C4O0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2GEV0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1HQS0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2G5O0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2G4L0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,G,H3CFA0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,C,D1PZG0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2B1V0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1Q9U0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1QQQ0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1XM40.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1WDR0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2EF80.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1XMY0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEI,J,K,L,M,N,
O,P
1JYZ0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA3EWY0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1PME0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,C,D1Y8Z0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1YI40.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA3EWX0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2VB00.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2FAI0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,C,D1QVV0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA3FS50.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1XOS0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2GES0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1XMU0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1J3H0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,D2CLW0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEB,D,F,H,J,L1YKO0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1ELJ0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEE1R8M0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,G,H3CFF0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1XOT0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1EUD0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1EVF0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2OQX0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1Y2J0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA3C7Q0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1QVW0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,C,D1K2X0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1ZKY0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2A2J0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1EV80.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1WZ90.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1YHS0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2GA80.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2GAA0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2P3B0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,I1ZPK0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2B1Z0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1A1V0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1A2T0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1Y2H0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1YPV0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,C,D,E,F,
G,H
1JYY0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,I1Z8C0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2QXS0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B3ET00.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2P3A0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1KSH0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,G,H3CFH0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2V1P0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1OCS0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2G440.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2J830.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1EV50.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1L6Y0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2V0Y0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2Q590.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1JVY0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2P3C0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2AQ50.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,E1S9D0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1JEO0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2CZL0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2OCF0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1YI30.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,C,D,E,F,
Y,Z
2OX50.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1EVG0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2RD80.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2B230.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,C1HQG0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2CFA0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEI,J,K,L,M,N,
O,P
1GHO0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1XLX0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEB,D,F,H,J,L1YKK0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1HW30.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,C,D1JN90.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,D,F,H,J,L1YKP0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1XLZ0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1TAZ0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2GET0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2QA80.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B2QZO0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1XV50.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,C,D,E,F,
G,H
1JZ00.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1XN00.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1UPI0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEB,D,F,H,J,L1YKM0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1XM60.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEB,D,F,H,J,L1YKN0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2ONB0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA1TLV0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,C,D1HVY0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B3D6I0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1OCU0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,I1ZBG0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2GEU0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA2HAI0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1EUC0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B,C,D,E,F,
G,H
1F490.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1L6S0.73
CMES,S-(2-HYDROXYETHYL)THIOCYSTEINEA,B1KSJ0.73
C3YS-[(1S)-1-HYDROXY-1-(HYDROXYAMINO)ETHYL]-
L-CYSTEINE
A2UXY0.82
BUCS,S-BUTYLTHIOCYSTEINEA1A2U0.8
CCSCARBOXYMETHYLATED CYSTEINEE1STF0.91
CCSCARBOXYMETHYLATED CYSTEINEA,B,C,D,E,F1GTI0.91
CCSCARBOXYMETHYLATED CYSTEINEA,B2BJ40.91
CCSCARBOXYMETHYLATED CYSTEINEA,B2JFA0.91
CCSCARBOXYMETHYLATED CYSTEINEG,R1DSS0.91
CCSCARBOXYMETHYLATED CYSTEINEA,B1L2I0.91
CCSCARBOXYMETHYLATED CYSTEINEA,B,C,D3DMT0.91
CCSCARBOXYMETHYLATED CYSTEINEA,B1ERR0.91
CCSCARBOXYMETHYLATED CYSTEINEA2JX40.91
2MT(4R)-2,2-DIMETHYL-1,3-THIAZOLIDINE-
4-CARBOXYLIC ACID
A1SBU0.75
CML(2S)-2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}butanedioic acidA2RHY0.82
CML(2S)-2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}butanedioic acidA2RHU0.82
CML(2S)-2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}butanedioic acidA2RI20.82
CML(2S)-2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}butanedioic acidA2RI30.82
CML(2S)-2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}butanedioic acidA2RI50.82
CML(2S)-2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}butanedioic acidA2RHZ0.82
BSC(S)-2-AMINO-4-(AMINO-BUTYLHYDROSULFINYL)BUTANOIC ACIDA,B,C,D,E,F,
G,H
2GWC0.76
AEA(2-AMINO-2-CARBAMOYL-ETHYLSULFANYL)-
ACETIC ACID
I1BZH0.81
AEA(2-AMINO-2-CARBAMOYL-ETHYLSULFANYL)-
ACETIC ACID
A,B,C,D1MHH0.81
C5CS-CYCLOPENTYL THIOCYSTEINEA1A3V0.72
2COS-HYDROPEROXYCYSTEINEA3ELN0.74
0CS3-[(S)-HYDROPEROXYSULFINYL]-L-ALANINEA2OGS0.7
CMHS-(METHYLMERCURY)-L-CYSTEINEA,B,C,D1WB20.82
CMHS-(METHYLMERCURY)-L-CYSTEINEA2FOU0.82
CMHS-(METHYLMERCURY)-L-CYSTEINEA2FOS0.82
CMHS-(METHYLMERCURY)-L-CYSTEINEA2NNS0.82
CMHS-(METHYLMERCURY)-L-CYSTEINEA2FOV0.82
CMHS-(METHYLMERCURY)-L-CYSTEINEA,B,C,D1WB30.82
CMHS-(METHYLMERCURY)-L-CYSTEINEA,B,C,D1WB10.82
CMHS-(METHYLMERCURY)-L-CYSTEINEA2NNG0.82
CMHS-(METHYLMERCURY)-L-CYSTEINEA2NNO0.82
CMHS-(METHYLMERCURY)-L-CYSTEINEA2NNV0.82
CMHS-(METHYLMERCURY)-L-CYSTEINEA2FOQ0.82
CSAS-ACETONYLCYSTEINEA,B1DWQ0.87
2FMS-(DIFLUOROMETHYL)HOMOCYSTEINEA1PFV0.76
CS0S-(2-HYDROXYETHYL)-L-CYSTEINEA1ASV0.83