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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02851735

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AEA(2-AMINO-2-CARBAMOYL-ETHYLSULFANYL)-
ACETIC ACID
I1BZH0.77
AEA(2-AMINO-2-CARBAMOYL-ETHYLSULFANYL)-
ACETIC ACID
A,B,C,D1MHH0.77
SCYS-ACETYL-CYSTEINEA,B,C,D1XPK0.74
SCYS-ACETYL-CYSTEINEA,B,C,D1XPL0.74
SCYS-ACETYL-CYSTEINEA,B2P8U0.74
SCYS-ACETYL-CYSTEINEA2FA30.74
SCYS-ACETYL-CYSTEINEA,B,C,D2F2S0.74
SCYS-ACETYL-CYSTEINEA1MJA0.74
SCYS-ACETYL-CYSTEINEA1HNH0.74
SCYS-ACETYL-CYSTEINEA,B,C,D1XPM0.74
SCYS-ACETYL-CYSTEINEA,B,C,D1DM30.74
SCYS-ACETYL-CYSTEINEA,B,C,D1QFL0.74
SCYS-ACETYL-CYSTEINEA,B,C,D1NL70.74
SCYS-ACETYL-CYSTEINEA2BV50.74
SCYS-ACETYL-CYSTEINEA,B,C,D1M4S0.74
SCS3-(ethyldisulfanyl)-L-alanineA2CMW0.72
SCS3-(ethyldisulfanyl)-L-alanineA2NUC0.72
SCS3-(ethyldisulfanyl)-L-alanineA1PSI0.72
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B,C,D1L0Q0.75
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B,I3DCR0.75
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B2A8Q0.75
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B3FL10.75
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,I2O400.75
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEL2R0Z0.75
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B1TQ90.75
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEL2R0W0.75
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B1PX50.75
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEH,L1TJG0.75
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEH,L3EYU0.75
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA1N3Z0.75
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B2A8S0.75
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEH,L,Q3EYS0.75
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA3ESW0.75
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B,C,D3BCP0.75
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B3FKZ0.75
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B3FL30.75
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEH,L,P1TJI0.75
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B2A8P0.75
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B2A8R0.75
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B3FL00.75
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA1N1X0.75
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEH,L,P1TJH0.75
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B,I3DCK0.75
M2L(2R)-2-amino-3-(2-dimethylaminoethylsulfanyl)propanoic acidA2K3Y0.71
M2L(2R)-2-amino-3-(2-dimethylaminoethylsulfanyl)propanoic acidA,E3C1C0.71
M0HS-(HYDROXYMETHYL)-L-CYSTEINEA2PFG0.71
SDCS-[2-(AMINOSULFONYL)ETHYL]-D-CYSTEINEA,B,C1R1O0.71
SCHS-METHYL-THIO-CYSTEINEA1AEX0.72
SCHS-METHYL-THIO-CYSTEINEA,B1K720.72
SCHS-METHYL-THIO-CYSTEINEA1YAL0.72
SCHS-METHYL-THIO-CYSTEINEA1FXD0.72
SCHS-METHYL-THIO-CYSTEINEA1YPV0.72
BUCS,S-BUTYLTHIOCYSTEINEA1A2U0.72
CS0S-(2-HYDROXYETHYL)-L-CYSTEINEA1ASV0.71
S2CS-2-(BORONOETHYL)-L-CYSTEINEA,B1HQ50.74
S2CS-2-(BORONOETHYL)-L-CYSTEINEA,B,C3E9B0.74
S2CS-2-(BORONOETHYL)-L-CYSTEINEA,B1P8R0.74
S2CS-2-(BORONOETHYL)-L-CYSTEINEA,B1WVA0.74
S2CS-2-(BORONOETHYL)-L-CYSTEINEA,B,C,D,E,F1PQ30.74
S2CS-2-(BORONOETHYL)-L-CYSTEINEA,B1WVB0.74
CY4S-BUTYRYL-CYSTEINA,B,C,D1M4T0.73
SMCS-METHYLCYSTEINEA,B,C,E,F,H,
I,J,K,M,O,P,
R,T,V,W
1UZD0.72
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2VDI0.72
SMCS-METHYLCYSTEINEA1U8B0.72
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2VDH0.72
SMCS-METHYLCYSTEINEA1FQ40.72
SMCS-METHYLCYSTEINEA,B,C,D,E,F1HBO0.72
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V630.72
SMCS-METHYLCYSTEINEI1E820.72
SMCS-METHYLCYSTEINEI1E810.72
SMCS-METHYLCYSTEINEA,B,C,E,H,I,
J,K,M,O,P,R,
T,V,W
1UW90.72
SMCS-METHYLCYSTEINEA1LFO0.72
SMCS-METHYLCYSTEINEA,B,D,E,H,K,
O,R,V
1UWA0.72
SMCS-METHYLCYSTEINEA,C,D,F1MRO0.72
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
1IR20.72
SMCS-METHYLCYSTEINEA1ZGW0.72
SMCS-METHYLCYSTEINEE,I1EPN0.72
SMCS-METHYLCYSTEINEA,B,C2OB20.72
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V670.72
SMCS-METHYLCYSTEINEP1CZI0.72
SMCS-METHYLCYSTEINEA,C,D,F1E6Y0.72
SMCS-METHYLCYSTEINEA,I1GVT0.72
SMCS-METHYLCYSTEINEA,B,C,D,E,F1HBM0.72
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V680.72
SMCS-METHYLCYSTEINEA,B,C,E,F,H,
J,K,M,O,P,R,
T,V,W
1UZH0.72
SMCS-METHYLCYSTEINEA1EH70.72
SMCS-METHYLCYSTEINEA,C,E,G,I,K,
M,O
1GK80.72
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V6A0.72
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V690.72
SMCS-METHYLCYSTEINEA1WPK0.72
SMCS-METHYLCYSTEINEA,B,C,D,E,F1HBN0.72
SMCS-METHYLCYSTEINEA,B,C,D,E,F1HBU0.72
CCSCARBOXYMETHYLATED CYSTEINEE1STF0.74
CCSCARBOXYMETHYLATED CYSTEINEA,B,C,D,E,F1GTI0.74
CCSCARBOXYMETHYLATED CYSTEINEA,B2BJ40.74
CCSCARBOXYMETHYLATED CYSTEINEA,B2JFA0.74
CCSCARBOXYMETHYLATED CYSTEINEG,R1DSS0.74
CCSCARBOXYMETHYLATED CYSTEINEA,B1L2I0.74
CCSCARBOXYMETHYLATED CYSTEINEA,B,C,D3DMT0.74
CCSCARBOXYMETHYLATED CYSTEINEA,B1ERR0.74
CCSCARBOXYMETHYLATED CYSTEINEA2JX40.74
SLZL-THIALYSINEA,B,D,E,F2O6V0.78
SLZL-THIALYSINEA,B,D2J9K0.78
SLZL-THIALYSINEL1BM20.78
SLZL-THIALYSINEX3DIG0.78
SLZL-THIALYSINEA,B,C2J9J0.78
EFCS,S-(2-FLUOROETHYL)THIOCYSTEINEA1A3T0.7
MT2[(3S)-3-amino-3-carboxypropyl](ethyl)methylsulfoniumA3C8F0.7
GSC2-ETHYLTHIO GLYCINEA1FQ60.81
MCSMALONYL CYSTEINEA,B,C,D2JFK0.7
ESD(2-AMINO-ETHYLSULFANYL)-ACETIC ACIDA1K5R0.92
ESC2-AMINO-4-ETHYL SULFANYL BUTYRIC ACIDH,P1KBG0.71
OCYHYDROXYETHYLCYSTEINEA1VSH0.71
OCYHYDROXYETHYLCYSTEINEA3FV80.71
OCYHYDROXYETHYLCYSTEINEA3FI30.71
OCYHYDROXYETHYLCYSTEINEA,B2R9S0.71
OCYHYDROXYETHYLCYSTEINEA1VSI0.71
OCYHYDROXYETHYLCYSTEINEA1VSJ0.71
OCYHYDROXYETHYLCYSTEINEA1VSD0.71
OCYHYDROXYETHYLCYSTEINEA3FI20.71
MSA(2-S-METHYL) SARCOSINEC1CWK0.7
MSA(2-S-METHYL) SARCOSINEC1CWJ0.7
CSAS-ACETONYLCYSTEINEA,B1DWQ0.71