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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03219574

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
ALP2-(1-CARBOXY-2-HYDROXY-ETHYL)-5,5-
DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID
A1TEM0.71
OCYHYDROXYETHYLCYSTEINEA1VSH0.74
OCYHYDROXYETHYLCYSTEINEA3FV80.74
OCYHYDROXYETHYLCYSTEINEA3FI30.74
OCYHYDROXYETHYLCYSTEINEA,B2R9S0.74
OCYHYDROXYETHYLCYSTEINEA1VSI0.74
OCYHYDROXYETHYLCYSTEINEA1VSJ0.74
OCYHYDROXYETHYLCYSTEINEA1VSD0.74
OCYHYDROXYETHYLCYSTEINEA3FI20.74
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B,C,D1L0Q0.74
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B,I3DCR0.74
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B2A8Q0.74
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B3FL10.74
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,I2O400.74
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEL2R0Z0.74
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B1TQ90.74
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEL2R0W0.74
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B1PX50.74
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEH,L1TJG0.74
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEH,L3EYU0.74
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA1N3Z0.74
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B2A8S0.74
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEH,L,Q3EYS0.74
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA3ESW0.74
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B,C,D3BCP0.74
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B3FKZ0.74
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B3FL30.74
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEH,L,P1TJI0.74
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B2A8P0.74
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B2A8R0.74
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B3FL00.74
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA1N1X0.74
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEH,L,P1TJH0.74
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B,I3DCK0.74
SACN-ACETYL-SERINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z
2EIL0.75
SACN-ACETYL-SERINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z
2DYR0.75
SACN-ACETYL-SERINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z
2EIM0.75
SACN-ACETYL-SERINEA1R4U0.75
SACN-ACETYL-SERINEA,B,C,D1WS30.75
SACN-ACETYL-SERINEA,B,C,D,E,F,
G,H
1XY30.75
SACN-ACETYL-SERINEA,B1EVU0.75
SACN-ACETYL-SERINEA,B,C,D,E,F,
G,H
1R560.75
SACN-ACETYL-SERINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z
2DYS0.75
SACN-ACETYL-SERINEA1WRR0.75
SACN-ACETYL-SERINEA,B,C,D,E,F,
G,I,J,L,M,N,
O,P,Q,S,T,V,
W,Z
1V540.75
SACN-ACETYL-SERINEA,B3CVQ0.75
SACN-ACETYL-SERINEA1B0B0.75
SACN-ACETYL-SERINEA1XT40.75
SACN-ACETYL-SERINEA,B,C,F,G,I,
J,L,M,N,O,P,
S,T,V,W,Z
2EIJ0.75
SACN-ACETYL-SERINEA2FXL0.75
SACN-ACETYL-SERINEA1R4S0.75
SACN-ACETYL-SERINEA,B,C,D1WS20.75
SACN-ACETYL-SERINEA,B,C,D2AUC0.75
SACN-ACETYL-SERINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Y,Z
2EIN0.75
SACN-ACETYL-SERINEA1R510.75
SACN-ACETYL-SERINEA,B,C,E,F,G,
I,J,M,N,O,P,
Q,S,T,V,W,Z
1V550.75
SACN-ACETYL-SERINEA,B,C,D1XXJ0.75
SACN-ACETYL-SERINET2QAC0.75
SACN-ACETYL-SERINEA,B,C,E,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,
Y,Z
2EIK0.75
AYAN-ACETYLALANINEA1D0W0.75
AYAN-ACETYLALANINEA1AH40.75
AYAN-ACETYLALANINEA,B1VBP0.75
AYAN-ACETYLALANINEA,B,C,D,E,F,
G,H
1J4T0.75
AYAN-ACETYLALANINEA,B,C,D1OUW0.75
AYAN-ACETYLALANINEA1AH30.75
AYAN-ACETYLALANINEA1EKO0.75
AYAN-ACETYLALANINEB,D,F,H2V4I0.75
AYAN-ACETYLALANINEA,B,C,D,E,F,
G,H
1VBO0.75
AYAN-ACETYLALANINEA,B,C,D1J4U0.75
NXAN-CARBOXYALANINEA2IUX0.7
NXAN-CARBOXYALANINEA1O8A0.7
FMEN-FORMYLMETHIONINEA,B,C,F,G,I,
J,L,M,N,O,P,
S,T,V,W,Z
2EIJ0.84
FMEN-FORMYLMETHIONINEA1DZA0.84
FMEN-FORMYLMETHIONINEA,B,C,D,F,G,
J,L,M,N,O,P,
S,T,W,Z
2ZXW0.84
FMEN-FORMYLMETHIONINEA,B,C,D,E,F,
G,I,J,L,M,N,
O,P,Q,S,T,V,
W,Z
1V540.84
FMEN-FORMYLMETHIONINEC,H,L,M3PRC0.84
FMEN-FORMYLMETHIONINEC,H,L,M2PRC0.84
FMEN-FORMYLMETHIONINEC,H,L,M1R2C0.84
FMEN-FORMYLMETHIONINEA2W9N0.84
FMEN-FORMYLMETHIONINEA,B,D,E,G,H1KZU0.84
FMEN-FORMYLMETHIONINEA,B,C,E,F,G,
I,J,M,N,O,P,
Q,S,T,V,W,Z
1V550.84
FMEN-FORMYLMETHIONINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z
2DYR0.84
FMEN-FORMYLMETHIONINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z
2EIM0.84
FMEN-FORMYLMETHIONINEC,H,L,M5PRC0.84
FMEN-FORMYLMETHIONINEA1BQ90.84
FMEN-FORMYLMETHIONINEA2BFR0.84
FMEN-FORMYLMETHIONINEC,D,F1MHC0.84
FMEN-FORMYLMETHIONINEA,B,C1Y4Z0.84
FMEN-FORMYLMETHIONINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z
2EIL0.84
FMEN-FORMYLMETHIONINEA,B1QX20.84
FMEN-FORMYLMETHIONINEA,B,C,D,E,F,G1TG60.84
FMEN-FORMYLMETHIONINEA,B,C1Y5N0.84
FMEN-FORMYLMETHIONINEC,H,L,M2I5N0.84
FMEN-FORMYLMETHIONINEA2BFQ0.84
FMEN-FORMYLMETHIONINEA2KAM0.84
FMEN-FORMYLMETHIONINEA,B,C1SIW0.84
FMEN-FORMYLMETHIONINEC,D,I,L1LK60.84
FMEN-FORMYLMETHIONINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z
2DYS0.84
FMEN-FORMYLMETHIONINEA1RB90.84
FMEN-FORMYLMETHIONINEC,H,L,M,U1DXR0.84
FMEN-FORMYLMETHIONINEA,B,C,D1DCE0.84
FMEN-FORMYLMETHIONINEC,H,L,M1PRC0.84
FMEN-FORMYLMETHIONINEA,B,C1Y5L0.84
FMEN-FORMYLMETHIONINEA,B,X,Y2G5L0.84
FMEN-FORMYLMETHIONINEA,B,C1Q160.84
FMEN-FORMYLMETHIONINEC,H,L,M2JBL0.84
FMEN-FORMYLMETHIONINEA,B,C,D,E,F,
G,H
2H610.84
FMEN-FORMYLMETHIONINEC,H,L,M6PRC0.84
FMEN-FORMYLMETHIONINEC,H,L,M3D380.84
FMEN-FORMYLMETHIONINEA,B,C,E,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,
Y,Z
2EIK0.84
FMEN-FORMYLMETHIONINEC,D2FMT0.84
FMEN-FORMYLMETHIONINEA1Q7O0.84
FMEN-FORMYLMETHIONINEA,B3D0Y0.84
FMEN-FORMYLMETHIONINEA,B,C,D1V4G0.84
FMEN-FORMYLMETHIONINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Y,Z
2EIN0.84
FMEN-FORMYLMETHIONINEC,H,L,M7PRC0.84
FMEN-FORMYLMETHIONINEA,B,C,D,E,F1IJD0.84
FMEN-FORMYLMETHIONINEC,H,L,M1VRN0.84
FMEN-FORMYLMETHIONINEA,B,C1Y5I0.84
ML32-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-
N,N,N-trimethylethanaminium
F3C1B0.75
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
HJ3(2R,4S)-2-[(1R)-1-{[(6S)-6-amino-
6-carboxyhexanoyl]amino}-2-oxoethyl]-
5,5-dimethyl-1,3-thiazolidine-4-
carboxylic acid
A3BEB0.71
CYKN-hexanoyl-L-homocysteineA3DHC0.72
0A8S-[(2-chloroethyl)carbamoyl]-L-
cysteine
A1GRG0.71
CS0S-(2-HYDROXYETHYL)-L-CYSTEINEA1ASV0.74
AMEN-ACETYLMETHIONINEA,B,C,D1SJA0.84
AMEN-ACETYLMETHIONINEA,B2J4Y0.84
I38N-(3-MERCAPTOPROPANOYL)-D-ALANINEA2QDT0.81
S2CS-2-(BORONOETHYL)-L-CYSTEINEA,B1HQ50.73
S2CS-2-(BORONOETHYL)-L-CYSTEINEA,B,C3E9B0.73
S2CS-2-(BORONOETHYL)-L-CYSTEINEA,B1P8R0.73
S2CS-2-(BORONOETHYL)-L-CYSTEINEA,B1WVA0.73
S2CS-2-(BORONOETHYL)-L-CYSTEINEA,B,C,D,E,F1PQ30.73
S2CS-2-(BORONOETHYL)-L-CYSTEINEA,B1WVB0.73
SHCS-HEXYLCYSTEINEI,J1GSS0.71
NCYN-METHYLCYSTEINEA,C,E,G2ADW0.74
NCYN-METHYLCYSTEINEA1VS20.74
NCYN-METHYLCYSTEINEA1PFE0.74
NCYN-METHYLCYSTEINEA,B2DA80.74
NCYN-METHYLCYSTEINEC,D193D0.74
NCYN-METHYLCYSTEINEA1XVN0.74
NCYN-METHYLCYSTEINEA,B185D0.74
NCYN-METHYLCYSTEINEA1XVK0.74
NCYN-METHYLCYSTEINEA,C1XVR0.74
N2CN,S-DIMETHYLCYSTEINEA1XVK0.8
N2CN,S-DIMETHYLCYSTEINEA,C1XVR0.8
N2CN,S-DIMETHYLCYSTEINEA,B3GO30.8
GTXS-HEXYLGLUTATHIONEA,B1K3Y0.7
GTXS-HEXYLGLUTATHIONEA,B1AGS0.7
GTXS-HEXYLGLUTATHIONEA,B1PN90.7
GTXS-HEXYLGLUTATHIONEA,B1Q4J0.7
GTXS-HEXYLGLUTATHIONEA,B2IMK0.7
GTXS-HEXYLGLUTATHIONEA,B4GSS0.7
GTXS-HEXYLGLUTATHIONEA,B,C1GWC0.7
GTXS-HEXYLGLUTATHIONEA,B,C,D2C3Q0.7
GTXS-HEXYLGLUTATHIONEA,B,C,D1TU80.7
GTXS-HEXYLGLUTATHIONEA,B2GLR0.7
GTXS-HEXYLGLUTATHIONEA,B2OA70.7
GTXS-HEXYLGLUTATHIONEA,C2AAW0.7
GTXS-HEXYLGLUTATHIONEA,B1VF20.7
GTXS-HEXYLGLUTATHIONEA1M9A0.7
GTXS-HEXYLGLUTATHIONEA,B17GS0.7
GTXS-HEXYLGLUTATHIONEA,B1K0A0.7
GTXS-HEXYLGLUTATHIONEA,B2R3X0.7
GTXS-HEXYLGLUTATHIONEA,B1GSU0.7
GTXS-HEXYLGLUTATHIONEA,B2C800.7
GTXS-HEXYLGLUTATHIONEA,B2R6K0.7
GTXS-HEXYLGLUTATHIONEA,B1PGT0.7
GTXS-HEXYLGLUTATHIONEA,B2J9H0.7
GTXS-HEXYLGLUTATHIONEA,B1K3L0.7
GTXS-HEXYLGLUTATHIONEA,B1GNW0.7
GTXS-HEXYLGLUTATHIONEA,B,C,D1BH50.7
GTXS-HEXYLGLUTATHIONEA,B1YDK0.7
GTXS-HEXYLGLUTATHIONEA,B9GSS0.7
MMEN-METHYL METHIONINEA,C,E,G,I,K,
M,O
1GK80.76
MMEN-METHYL METHIONINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V6A0.76
MMEN-METHYL METHIONINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V690.76
MMEN-METHYL METHIONINEA,E,S,W1WDD0.76
MMEN-METHYL METHIONINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V680.76
MMEN-METHYL METHIONINEA,B,C,D,S,T,
U,V
1IR10.76
MMEN-METHYL METHIONINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V670.76
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
1IR20.76
MMEN-METHYL METHIONINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V630.76
MMEN-METHYL METHIONINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2VDH0.76
MMEN-METHYL METHIONINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2VDI0.76
CY4S-BUTYRYL-CYSTEINA,B,C,D1M4T0.72
GSML-GAMMA-GLUTAMYL-S-METHYLCYSTEINYLGLYCINEA,B,C,D2AB60.71
M0HS-(HYDROXYMETHYL)-L-CYSTEINEA2PFG0.7
PRSTHIOPROLINEA1SAV0.72
CDT4-METHYLSULFANYL-2-UREIDO-BUTYRIC ACIDA,B1UF50.76
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
SLZL-THIALYSINEA,B,D,E,F2O6V0.7
SLZL-THIALYSINEA,B,D2J9K0.7
SLZL-THIALYSINEL1BM20.7
SLZL-THIALYSINEX3DIG0.7
SLZL-THIALYSINEA,B,C2J9J0.7
2MT(4R)-2,2-DIMETHYL-1,3-THIAZOLIDINE-
4-CARBOXYLIC ACID
A1SBU0.78
SC2N-ACETYL-L-CYSTEINEA,B,C,D,E,F,
G,H
2J580.82
SC2N-ACETYL-L-CYSTEINEA,B,C,D,E,F2J2P0.82
SC2N-ACETYL-L-CYSTEINEB,C,D,E,F2J1G0.82
SMGN-SUCCINYL METHIONINEA,B,C,D1SJC0.81
CCSCARBOXYMETHYLATED CYSTEINEE1STF0.73
CCSCARBOXYMETHYLATED CYSTEINEA,B,C,D,E,F1GTI0.73
CCSCARBOXYMETHYLATED CYSTEINEA,B2BJ40.73
CCSCARBOXYMETHYLATED CYSTEINEA,B2JFA0.73
CCSCARBOXYMETHYLATED CYSTEINEG,R1DSS0.73
CCSCARBOXYMETHYLATED CYSTEINEA,B1L2I0.73
CCSCARBOXYMETHYLATED CYSTEINEA,B,C,D3DMT0.73
CCSCARBOXYMETHYLATED CYSTEINEA,B1ERR0.73
CCSCARBOXYMETHYLATED CYSTEINEA2JX40.73
M2L(2R)-2-amino-3-(2-dimethylaminoethylsulfanyl)propanoic acidA2K3Y0.73
M2L(2R)-2-amino-3-(2-dimethylaminoethylsulfanyl)propanoic acidA,E3C1C0.73
CY1ACETAMIDOMETHYLCYSTEINEA,D1D5M0.79
ESC2-AMINO-4-ETHYL SULFANYL BUTYRIC ACIDH,P1KBG0.71
CXMN-CARBOXYMETHIONINEA,B1DNA0.81
CXMN-CARBOXYMETHIONINEA,B1JTU0.81
CXMN-CARBOXYMETHIONINEA,B1F4F0.81
CXMN-CARBOXYMETHIONINEA,B3BHL0.81
CXMN-CARBOXYMETHIONINEA,B2G8M0.81
CXMN-CARBOXYMETHIONINEA,C1S3T0.81
CXMN-CARBOXYMETHIONINEA2FTN0.81
CXMN-CARBOXYMETHIONINEA1AJM0.81
CXMN-CARBOXYMETHIONINEA1EV80.81
CXMN-CARBOXYMETHIONINEA,B2G8O0.81
CXMN-CARBOXYMETHIONINEA1EV50.81
CXMN-CARBOXYMETHIONINEA,B1JG00.81
CXMN-CARBOXYMETHIONINEA1FFL0.81
CXMN-CARBOXYMETHIONINEA1BJG0.81
CXMN-CARBOXYMETHIONINEA,B1TLS0.81
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