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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00302107

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PECS,S-PENTYLTHIOCYSTEINEA5NUC0.7
OCYHYDROXYETHYLCYSTEINEA1VSH0.74
OCYHYDROXYETHYLCYSTEINEA3FV80.74
OCYHYDROXYETHYLCYSTEINEA3FI30.74
OCYHYDROXYETHYLCYSTEINEA,B2R9S0.74
OCYHYDROXYETHYLCYSTEINEA1VSI0.74
OCYHYDROXYETHYLCYSTEINEA1VSJ0.74
OCYHYDROXYETHYLCYSTEINEA1VSD0.74
OCYHYDROXYETHYLCYSTEINEA3FI20.74
ESC2-AMINO-4-ETHYL SULFANYL BUTYRIC ACIDH,P1KBG0.74
SHCS-HEXYLCYSTEINEI,J1GSS0.77
SCYS-ACETYL-CYSTEINEA,B,C,D1XPK0.73
SCYS-ACETYL-CYSTEINEA,B,C,D1XPL0.73
SCYS-ACETYL-CYSTEINEA,B2P8U0.73
SCYS-ACETYL-CYSTEINEA2FA30.73
SCYS-ACETYL-CYSTEINEA,B,C,D2F2S0.73
SCYS-ACETYL-CYSTEINEA1MJA0.73
SCYS-ACETYL-CYSTEINEA1HNH0.73
SCYS-ACETYL-CYSTEINEA,B,C,D1XPM0.73
SCYS-ACETYL-CYSTEINEA,B,C,D1DM30.73
SCYS-ACETYL-CYSTEINEA,B,C,D1QFL0.73
SCYS-ACETYL-CYSTEINEA,B,C,D1NL70.73
SCYS-ACETYL-CYSTEINEA2BV50.73
SCYS-ACETYL-CYSTEINEA,B,C,D1M4S0.73
ML32-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-
N,N,N-trimethylethanaminium
F3C1B0.72
CBHS-(D-CARBOXYBUTYL)-L-HOMOCYSTEINEA,B1LT80.76
CS0S-(2-HYDROXYETHYL)-L-CYSTEINEA1ASV0.74
SMCS-METHYLCYSTEINEA,B,C,E,F,H,
I,J,K,M,O,P,
R,T,V,W
1UZD0.71
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2VDI0.71
SMCS-METHYLCYSTEINEA1U8B0.71
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2VDH0.71
SMCS-METHYLCYSTEINEA1FQ40.71
SMCS-METHYLCYSTEINEA,B,C,D,E,F1HBO0.71
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V630.71
SMCS-METHYLCYSTEINEI1E820.71
SMCS-METHYLCYSTEINEI1E810.71
SMCS-METHYLCYSTEINEA,B,C,E,H,I,
J,K,M,O,P,R,
T,V,W
1UW90.71
SMCS-METHYLCYSTEINEA1LFO0.71
SMCS-METHYLCYSTEINEA,B,D,E,H,K,
O,R,V
1UWA0.71
SMCS-METHYLCYSTEINEA,C,D,F1MRO0.71
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
1IR20.71
SMCS-METHYLCYSTEINEA1ZGW0.71
SMCS-METHYLCYSTEINEE,I1EPN0.71
SMCS-METHYLCYSTEINEA,B,C2OB20.71
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V670.71
SMCS-METHYLCYSTEINEP1CZI0.71
SMCS-METHYLCYSTEINEA,C,D,F1E6Y0.71
SMCS-METHYLCYSTEINEA,I1GVT0.71
SMCS-METHYLCYSTEINEA,B,C,D,E,F1HBM0.71
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V680.71
SMCS-METHYLCYSTEINEA,B,C,E,F,H,
J,K,M,O,P,R,
T,V,W
1UZH0.71
SMCS-METHYLCYSTEINEA1EH70.71
SMCS-METHYLCYSTEINEA,C,E,G,I,K,
M,O
1GK80.71
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V6A0.71
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V690.71
SMCS-METHYLCYSTEINEA1WPK0.71
SMCS-METHYLCYSTEINEA,B,C,D,E,F1HBN0.71
SMCS-METHYLCYSTEINEA,B,C,D,E,F1HBU0.71
MT2[(3S)-3-amino-3-carboxypropyl](ethyl)methylsulfoniumA3C8F0.75
CMTO-METHYLCYSTEINEG1OMW0.74
CMTO-METHYLCYSTEINEA,G3CIK0.74
CMTO-METHYLCYSTEINEA1DOA0.74
GT9S-NONYL-CYSTEINEA,B,C,D12GS0.75
BSC(S)-2-AMINO-4-(AMINO-BUTYLHYDROSULFINYL)BUTANOIC ACIDA,B,C,D,E,F,
G,H
2GWC0.71
CY4S-BUTYRYL-CYSTEINA,B,C,D1M4T0.72
CCSCARBOXYMETHYLATED CYSTEINEE1STF0.7
CCSCARBOXYMETHYLATED CYSTEINEA,B,C,D,E,F1GTI0.7
CCSCARBOXYMETHYLATED CYSTEINEA,B2BJ40.7
CCSCARBOXYMETHYLATED CYSTEINEA,B2JFA0.7
CCSCARBOXYMETHYLATED CYSTEINEG,R1DSS0.7
CCSCARBOXYMETHYLATED CYSTEINEA,B1L2I0.7
CCSCARBOXYMETHYLATED CYSTEINEA,B,C,D3DMT0.7
CCSCARBOXYMETHYLATED CYSTEINEA,B1ERR0.7
CCSCARBOXYMETHYLATED CYSTEINEA2JX40.7
M2L(2R)-2-amino-3-(2-dimethylaminoethylsulfanyl)propanoic acidA2K3Y0.7
M2L(2R)-2-amino-3-(2-dimethylaminoethylsulfanyl)propanoic acidA,E3C1C0.7
M0HS-(HYDROXYMETHYL)-L-CYSTEINEA2PFG0.7
SLZL-THIALYSINEA,B,D,E,F2O6V0.7
SLZL-THIALYSINEA,B,D2J9K0.7
SLZL-THIALYSINEL1BM20.7
SLZL-THIALYSINEX3DIG0.7
SLZL-THIALYSINEA,B,C2J9J0.7
S2CS-2-(BORONOETHYL)-L-CYSTEINEA,B1HQ50.7
S2CS-2-(BORONOETHYL)-L-CYSTEINEA,B,C3E9B0.7
S2CS-2-(BORONOETHYL)-L-CYSTEINEA,B1P8R0.7
S2CS-2-(BORONOETHYL)-L-CYSTEINEA,B1WVA0.7
S2CS-2-(BORONOETHYL)-L-CYSTEINEA,B,C,D,E,F1PQ30.7
S2CS-2-(BORONOETHYL)-L-CYSTEINEA,B1WVB0.7
MEDD-METHIONINEA1Y9Q0.72
MEDD-METHIONINEA,B2Q330.72
MEDD-METHIONINEA1ZUE0.72
MEDD-METHIONINEA1KQ00.72
MEDD-METHIONINEA,B3GP40.72
MEDD-METHIONINEA1TKJ0.72
CSAS-ACETONYLCYSTEINEA,B1DWQ0.71