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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02342712

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
SCHS-METHYL-THIO-CYSTEINEA1AEX0.73
SCHS-METHYL-THIO-CYSTEINEA,B1K720.73
SCHS-METHYL-THIO-CYSTEINEA1YAL0.73
SCHS-METHYL-THIO-CYSTEINEA1FXD0.73
SCHS-METHYL-THIO-CYSTEINEA1YPV0.73
ESD(2-AMINO-ETHYLSULFANYL)-ACETIC ACIDA1K5R0.71
BUCS,S-BUTYLTHIOCYSTEINEA1A2U0.73
SCYS-ACETYL-CYSTEINEA,B,C,D1XPK0.75
SCYS-ACETYL-CYSTEINEA,B,C,D1XPL0.75
SCYS-ACETYL-CYSTEINEA,B2P8U0.75
SCYS-ACETYL-CYSTEINEA2FA30.75
SCYS-ACETYL-CYSTEINEA,B,C,D2F2S0.75
SCYS-ACETYL-CYSTEINEA1MJA0.75
SCYS-ACETYL-CYSTEINEA1HNH0.75
SCYS-ACETYL-CYSTEINEA,B,C,D1XPM0.75
SCYS-ACETYL-CYSTEINEA,B,C,D1DM30.75
SCYS-ACETYL-CYSTEINEA,B,C,D1QFL0.75
SCYS-ACETYL-CYSTEINEA,B,C,D1NL70.75
SCYS-ACETYL-CYSTEINEA2BV50.75
SCYS-ACETYL-CYSTEINEA,B,C,D1M4S0.75
ML32-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-
N,N,N-trimethylethanaminium
F3C1B0.73
CASS-(DIMETHYLARSENIC)CYSTEINEA,B3G2F0.71
CASS-(DIMETHYLARSENIC)CYSTEINEA,B1FU10.71
CASS-(DIMETHYLARSENIC)CYSTEINEA2IM20.71
CASS-(DIMETHYLARSENIC)CYSTEINEA,B2CJW0.71
CASS-(DIMETHYLARSENIC)CYSTEINEA,B2JBH0.71
CASS-(DIMETHYLARSENIC)CYSTEINEA1JQ60.71
CASS-(DIMETHYLARSENIC)CYSTEINEB2HZE0.71
CASS-(DIMETHYLARSENIC)CYSTEINEA2IM30.71
CASS-(DIMETHYLARSENIC)CYSTEINEA2H790.71
CASS-(DIMETHYLARSENIC)CYSTEINEA2ILZ0.71
CASS-(DIMETHYLARSENIC)CYSTEINEA2IM10.71
CASS-(DIMETHYLARSENIC)CYSTEINEA1RA60.71
CASS-(DIMETHYLARSENIC)CYSTEINEA1TQL0.71
CASS-(DIMETHYLARSENIC)CYSTEINEA2RA80.71
CASS-(DIMETHYLARSENIC)CYSTEINEA,B1I830.71
CASS-(DIMETHYLARSENIC)CYSTEINEA,B3E7S0.71
CASS-(DIMETHYLARSENIC)CYSTEINEA,B1ZZS0.71
CASS-(DIMETHYLARSENIC)CYSTEINEA2ILY0.71
CASS-(DIMETHYLARSENIC)CYSTEINEA2IM00.71
CASS-(DIMETHYLARSENIC)CYSTEINEX3GWS0.71
CASS-(DIMETHYLARSENIC)CYSTEINEA,B2W9J0.71
CASS-(DIMETHYLARSENIC)CYSTEINEA,B1ZZT0.71
CASS-(DIMETHYLARSENIC)CYSTEINEA2H770.71
CASS-(DIMETHYLARSENIC)CYSTEINEA1FYX0.71
CASS-(DIMETHYLARSENIC)CYSTEINEA,B2HMH0.71
CASS-(DIMETHYLARSENIC)CYSTEINEA1BHL0.71
CASS-(DIMETHYLARSENIC)CYSTEINEA,B,C1FF30.71
CASS-(DIMETHYLARSENIC)CYSTEINEA1R4X0.71
CASS-(DIMETHYLARSENIC)CYSTEINEA1S6C0.71
CASS-(DIMETHYLARSENIC)CYSTEINEA1RA70.71
CASS-(DIMETHYLARSENIC)CYSTEINEA,B3ET60.71
CASS-(DIMETHYLARSENIC)CYSTEINEA1FYW0.71
AGTS-{(S)-AMINO[(4-AMINOBUTYL)AMINO]METHYL}-
L-CYSTEINE
A3H7K0.7
AGTS-{(S)-AMINO[(4-AMINOBUTYL)AMINO]METHYL}-
L-CYSTEINE
A,B,C,D,E,F,
G,H
2JER0.7
CAFS-DIMETHYLARSINOYL-CYSTEINEA,B2DYB0.71
CAFS-DIMETHYLARSINOYL-CYSTEINEA1HYV0.71
CAFS-DIMETHYLARSINOYL-CYSTEINEA,B,C,D2C7V0.71
CAFS-DIMETHYLARSINOYL-CYSTEINEA1SNG0.71
CAFS-DIMETHYLARSINOYL-CYSTEINEA2IWR0.71
CAFS-DIMETHYLARSINOYL-CYSTEINEA2FAU0.71
CAFS-DIMETHYLARSINOYL-CYSTEINEA1HYZ0.71
CAFS-DIMETHYLARSINOYL-CYSTEINEA3F7D0.71
CY1ACETAMIDOMETHYLCYSTEINEA,D1D5M0.78
CSAS-ACETONYLCYSTEINEA,B1DWQ0.72
GSC2-ETHYLTHIO GLYCINEA1FQ60.7
MT2[(3S)-3-amino-3-carboxypropyl](ethyl)methylsulfoniumA3C8F0.71
ESC2-AMINO-4-ETHYL SULFANYL BUTYRIC ACIDH,P1KBG0.72
MMEN-METHYL METHIONINEA,C,E,G,I,K,
M,O
1GK80.75
MMEN-METHYL METHIONINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V6A0.75
MMEN-METHYL METHIONINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V690.75
MMEN-METHYL METHIONINEA,E,S,W1WDD0.75
MMEN-METHYL METHIONINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V680.75
MMEN-METHYL METHIONINEA,B,C,D,S,T,
U,V
1IR10.75
MMEN-METHYL METHIONINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V670.75
MMEN-METHYL METHIONINE1,2,3,4,5,6,
7,8,A,B,C,D,
E,F,G,H,I,J,
K,L,M,N,O,P,
S,T,U,V,W,X,
Y,Z
1IR20.75
MMEN-METHYL METHIONINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V630.75
MMEN-METHYL METHIONINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2VDH0.75
MMEN-METHYL METHIONINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2VDI0.75
SMCS-METHYLCYSTEINEA,B,C,E,F,H,
I,J,K,M,O,P,
R,T,V,W
1UZD0.76
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2VDI0.76
SMCS-METHYLCYSTEINEA1U8B0.76
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2VDH0.76
SMCS-METHYLCYSTEINEA1FQ40.76
SMCS-METHYLCYSTEINEA,B,C,D,E,F1HBO0.76
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V630.76
SMCS-METHYLCYSTEINEI1E820.76
SMCS-METHYLCYSTEINEI1E810.76
SMCS-METHYLCYSTEINEA,B,C,E,H,I,
J,K,M,O,P,R,
T,V,W
1UW90.76
SMCS-METHYLCYSTEINEA1LFO0.76
SMCS-METHYLCYSTEINEA,B,D,E,H,K,
O,R,V
1UWA0.76
SMCS-METHYLCYSTEINEA,C,D,F1MRO0.76
SMCS-METHYLCYSTEINE1,2,3,4,5,6,
7,8,A,B,C,D,
E,F,G,H,I,J,
K,L,M,N,O,P,
S,T,U,V,W,X,
Y,Z
1IR20.76
SMCS-METHYLCYSTEINEA1ZGW0.76
SMCS-METHYLCYSTEINEE,I1EPN0.76
SMCS-METHYLCYSTEINEA,B,C2OB20.76
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V670.76
SMCS-METHYLCYSTEINEP1CZI0.76
SMCS-METHYLCYSTEINEA,C,D,F1E6Y0.76
SMCS-METHYLCYSTEINEA,I1GVT0.76
SMCS-METHYLCYSTEINEA,B,C,D,E,F1HBM0.76
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V680.76
SMCS-METHYLCYSTEINEA,B,C,E,F,H,
J,K,M,O,P,R,
T,V,W
1UZH0.76
SMCS-METHYLCYSTEINEA1EH70.76
SMCS-METHYLCYSTEINEA,C,E,G,I,K,
M,O
1GK80.76
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V6A0.76
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V690.76
SMCS-METHYLCYSTEINEA1WPK0.76
SMCS-METHYLCYSTEINEA,B,C,D,E,F1HBN0.76
SMCS-METHYLCYSTEINEA,B,C,D,E,F1HBU0.76
SCS3-(ethyldisulfanyl)-L-alanineA2CMW0.73
SCS3-(ethyldisulfanyl)-L-alanineA2NUC0.73
SCS3-(ethyldisulfanyl)-L-alanineA1PSI0.73
M0HS-(HYDROXYMETHYL)-L-CYSTEINEA2PFG0.72
CCSCARBOXYMETHYLATED CYSTEINEE1STF0.72
CCSCARBOXYMETHYLATED CYSTEINEA,B,C,D,E,F1GTI0.72
CCSCARBOXYMETHYLATED CYSTEINEA,B2BJ40.72
CCSCARBOXYMETHYLATED CYSTEINEA,B2JFA0.72
CCSCARBOXYMETHYLATED CYSTEINEG,R1DSS0.72
CCSCARBOXYMETHYLATED CYSTEINEA,B1L2I0.72
CCSCARBOXYMETHYLATED CYSTEINEA,B,C,D3DMT0.72
CCSCARBOXYMETHYLATED CYSTEINEA,B1ERR0.72
CCSCARBOXYMETHYLATED CYSTEINEA2JX40.72
CMHS-(METHYLMERCURY)-L-CYSTEINEA,B,C,D1WB20.71
CMHS-(METHYLMERCURY)-L-CYSTEINEA2FOU0.71
CMHS-(METHYLMERCURY)-L-CYSTEINEA2FOS0.71
CMHS-(METHYLMERCURY)-L-CYSTEINEA2NNS0.71
CMHS-(METHYLMERCURY)-L-CYSTEINEA2FOV0.71
CMHS-(METHYLMERCURY)-L-CYSTEINEA,B,C,D1WB30.71
CMHS-(METHYLMERCURY)-L-CYSTEINEA,B,C,D1WB10.71
CMHS-(METHYLMERCURY)-L-CYSTEINEA2NNG0.71
CMHS-(METHYLMERCURY)-L-CYSTEINEA2NNO0.71
CMHS-(METHYLMERCURY)-L-CYSTEINEA2NNV0.71
CMHS-(METHYLMERCURY)-L-CYSTEINEA2FOQ0.71
MEDD-METHIONINEA1Y9Q0.74
MEDD-METHIONINEA,B2Q330.74
MEDD-METHIONINEA1ZUE0.74
MEDD-METHIONINEA1KQ00.74
MEDD-METHIONINEA,B3GP40.74
MEDD-METHIONINEA1TKJ0.74
2MT(4R)-2,2-DIMETHYL-1,3-THIAZOLIDINE-
4-CARBOXYLIC ACID
A1SBU0.74
MSA(2-S-METHYL) SARCOSINEC1CWK0.75
MSA(2-S-METHYL) SARCOSINEC1CWJ0.75
PRSTHIOPROLINEA1SAV0.73
NCYN-METHYLCYSTEINEA,C,E,G2ADW0.72
NCYN-METHYLCYSTEINEA1VS20.72
NCYN-METHYLCYSTEINEA1PFE0.72
NCYN-METHYLCYSTEINEA,B2DA80.72
NCYN-METHYLCYSTEINEC,D193D0.72
NCYN-METHYLCYSTEINEA1XVN0.72
NCYN-METHYLCYSTEINEA,B185D0.72
NCYN-METHYLCYSTEINEA1XVK0.72
NCYN-METHYLCYSTEINEA,C1XVR0.72
CY4S-BUTYRYL-CYSTEINA,B,C,D1M4T0.74
N2CN,S-DIMETHYLCYSTEINEA1XVK0.79
N2CN,S-DIMETHYLCYSTEINEA,C1XVR0.79
N2CN,S-DIMETHYLCYSTEINEA,B3GO30.79
S2CS-2-(BORONOETHYL)-L-CYSTEINEA,B1HQ50.72
S2CS-2-(BORONOETHYL)-L-CYSTEINEA,B,C3E9B0.72
S2CS-2-(BORONOETHYL)-L-CYSTEINEA,B1P8R0.72
S2CS-2-(BORONOETHYL)-L-CYSTEINEA,B1WVA0.72
S2CS-2-(BORONOETHYL)-L-CYSTEINEA,B,C,D,E,F1PQ30.72
S2CS-2-(BORONOETHYL)-L-CYSTEINEA,B1WVB0.72
SLZL-THIALYSINEA,B,D,E,F2O6V0.72
SLZL-THIALYSINEA,B,D2J9K0.72
SLZL-THIALYSINEL1BM20.72
SLZL-THIALYSINEX3DIG0.72
SLZL-THIALYSINEA,B,C2J9J0.72
M2L(2R)-2-amino-3-(2-dimethylaminoethylsulfanyl)propanoic acidA2K3Y0.75
M2L(2R)-2-amino-3-(2-dimethylaminoethylsulfanyl)propanoic acidA,E3C1C0.75