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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03417694

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PRSTHIOPROLINEA1SAV0.71
ML32-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-
N,N,N-trimethylethanaminium
F3C1B0.74
CS0S-(2-HYDROXYETHYL)-L-CYSTEINEA1ASV0.7
CY4S-BUTYRYL-CYSTEINA,B,C,D1M4T0.71
CY1ACETAMIDOMETHYLCYSTEINEA,D1D5M0.85
I38N-(3-MERCAPTOPROPANOYL)-D-ALANINEA2QDT0.72
CXMN-CARBOXYMETHIONINEA,B1DNA0.75
CXMN-CARBOXYMETHIONINEA,B1JTU0.75
CXMN-CARBOXYMETHIONINEA,B1F4F0.75
CXMN-CARBOXYMETHIONINEA,B3BHL0.75
CXMN-CARBOXYMETHIONINEA,B2G8M0.75
CXMN-CARBOXYMETHIONINEA,C1S3T0.75
CXMN-CARBOXYMETHIONINEA2FTN0.75
CXMN-CARBOXYMETHIONINEA1AJM0.75
CXMN-CARBOXYMETHIONINEA1EV80.75
CXMN-CARBOXYMETHIONINEA,B2G8O0.75
CXMN-CARBOXYMETHIONINEA1EV50.75
CXMN-CARBOXYMETHIONINEA,B1JG00.75
CXMN-CARBOXYMETHIONINEA1FFL0.75
CXMN-CARBOXYMETHIONINEA1BJG0.75
CXMN-CARBOXYMETHIONINEA,B1TLS0.75
CXMN-CARBOXYMETHIONINEA,B1KCE0.75
CXMN-CARBOXYMETHIONINEA,B1NCE0.75
CXMN-CARBOXYMETHIONINEA1TSN0.75
CXMN-CARBOXYMETHIONINEA1F4B0.75
CXMN-CARBOXYMETHIONINEA,B1F4G0.75
CXMN-CARBOXYMETHIONINEA,B,C,D,E,F1KZJ0.75
CXMN-CARBOXYMETHIONINEA3B9H0.75
CXMN-CARBOXYMETHIONINEA,B,C,D,E,F1NKZ0.75
CXMN-CARBOXYMETHIONINEA3BHR0.75
CXMN-CARBOXYMETHIONINEA,B1KZI0.75
CXMN-CARBOXYMETHIONINEA1EVG0.75
CXMN-CARBOXYMETHIONINEA,B1F4C0.75
CXMN-CARBOXYMETHIONINEA,B1FWM0.75
CXMN-CARBOXYMETHIONINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,R,S
2FKW0.75
CXMN-CARBOXYMETHIONINEA1EVF0.75
CXMN-CARBOXYMETHIONINEA,B1F4D0.75
CXMN-CARBOXYMETHIONINEA,B1JUT0.75
CXMN-CARBOXYMETHIONINEA,B,C,D2A9W0.75
CXMN-CARBOXYMETHIONINEX2FTO0.75
CXMN-CARBOXYMETHIONINEA,B1AIQ0.75
CXMN-CARBOXYMETHIONINEA1QQQ0.75
CXMN-CARBOXYMETHIONINEA,B1JTQ0.75
CXMN-CARBOXYMETHIONINEA,B1BQ10.75
CXMN-CARBOXYMETHIONINEA,C1UBP0.75
CXMN-CARBOXYMETHIONINEA3BFI0.75
CXMN-CARBOXYMETHIONINEA,B2G8X0.75
CXMN-CARBOXYMETHIONINEA,B2VF00.75
CXMN-CARBOXYMETHIONINEA,B1ZPR0.75
CXMN-CARBOXYMETHIONINEA3BGX0.75
CXMN-CARBOXYMETHIONINEA1TYS0.75
CXMN-CARBOXYMETHIONINEA2FTQ0.75
CXMN-CARBOXYMETHIONINEA1F4E0.75
CXMN-CARBOXYMETHIONINEA,C1IE70.75
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B,C,D1L0Q0.73
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B,I3DCR0.73
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B2A8Q0.73
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B3FL10.73
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,I2O400.73
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEL2R0Z0.73
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B1TQ90.73
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEL2R0W0.73
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B1PX50.73
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEH,L1TJG0.73
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEH,L3EYU0.73
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA1N3Z0.73
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B2A8S0.73
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEH,L,Q3EYS0.73
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA3ESW0.73
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B,C,D3BCP0.73
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B3FKZ0.73
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B3FL30.73
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEH,L,P1TJI0.73
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B2A8P0.73
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B2A8R0.73
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B3FL00.73
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA1N1X0.73
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEH,L,P1TJH0.73
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B,I3DCK0.73
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
AMEN-ACETYLMETHIONINEA,B,C,D1SJA0.75
AMEN-ACETYLMETHIONINEA,B2J4Y0.75
FMEN-FORMYLMETHIONINEA,B,C,F,G,I,
J,L,M,N,O,P,
S,T,V,W,Z
2EIJ0.78
FMEN-FORMYLMETHIONINEA1DZA0.78
FMEN-FORMYLMETHIONINEA,B,C,D,F,G,
J,L,M,N,O,P,
S,T,W,Z
2ZXW0.78
FMEN-FORMYLMETHIONINEA,B,C,D,E,F,
G,I,J,L,M,N,
O,P,Q,S,T,V,
W,Z
1V540.78
FMEN-FORMYLMETHIONINEC,H,L,M3PRC0.78
FMEN-FORMYLMETHIONINEC,H,L,M2PRC0.78
FMEN-FORMYLMETHIONINEC,H,L,M1R2C0.78
FMEN-FORMYLMETHIONINEA2W9N0.78
FMEN-FORMYLMETHIONINEA,B,D,E,G,H1KZU0.78
FMEN-FORMYLMETHIONINEA,B,C,E,F,G,
I,J,M,N,O,P,
Q,S,T,V,W,Z
1V550.78
FMEN-FORMYLMETHIONINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z
2DYR0.78
FMEN-FORMYLMETHIONINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z
2EIM0.78
FMEN-FORMYLMETHIONINEC,H,L,M5PRC0.78
FMEN-FORMYLMETHIONINEA1BQ90.78
FMEN-FORMYLMETHIONINEA2BFR0.78
FMEN-FORMYLMETHIONINEC,D,F1MHC0.78
FMEN-FORMYLMETHIONINEA,B,C1Y4Z0.78
FMEN-FORMYLMETHIONINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z
2EIL0.78
FMEN-FORMYLMETHIONINEA,B1QX20.78
FMEN-FORMYLMETHIONINEA,B,C,D,E,F,G1TG60.78
FMEN-FORMYLMETHIONINEA,B,C1Y5N0.78
FMEN-FORMYLMETHIONINEC,H,L,M2I5N0.78
FMEN-FORMYLMETHIONINEA2BFQ0.78
FMEN-FORMYLMETHIONINEA2KAM0.78
FMEN-FORMYLMETHIONINEA,B,C1SIW0.78
FMEN-FORMYLMETHIONINEC,D,I,L1LK60.78
FMEN-FORMYLMETHIONINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z
2DYS0.78
FMEN-FORMYLMETHIONINEA1RB90.78
FMEN-FORMYLMETHIONINEC,H,L,M,U1DXR0.78
FMEN-FORMYLMETHIONINEA,B,C,D1DCE0.78
FMEN-FORMYLMETHIONINEC,H,L,M1PRC0.78
FMEN-FORMYLMETHIONINEA,B,C1Y5L0.78
FMEN-FORMYLMETHIONINEA,B,X,Y2G5L0.78
FMEN-FORMYLMETHIONINEA,B,C1Q160.78
FMEN-FORMYLMETHIONINEC,H,L,M2JBL0.78
FMEN-FORMYLMETHIONINEA,B,C,D,E,F,
G,H
2H610.78
FMEN-FORMYLMETHIONINEC,H,L,M6PRC0.78
FMEN-FORMYLMETHIONINEC,H,L,M3D380.78
FMEN-FORMYLMETHIONINEA,B,C,E,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,
Y,Z
2EIK0.78
FMEN-FORMYLMETHIONINEC,D2FMT0.78
FMEN-FORMYLMETHIONINEA1Q7O0.78
FMEN-FORMYLMETHIONINEA,B3D0Y0.78
FMEN-FORMYLMETHIONINEA,B,C,D1V4G0.78
FMEN-FORMYLMETHIONINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Y,Z
2EIN0.78
FMEN-FORMYLMETHIONINEC,H,L,M7PRC0.78
FMEN-FORMYLMETHIONINEA,B,C,D,E,F1IJD0.78
FMEN-FORMYLMETHIONINEC,H,L,M1VRN0.78
FMEN-FORMYLMETHIONINEA,B,C1Y5I0.78
MEDD-METHIONINEA1Y9Q0.71
MEDD-METHIONINEA,B2Q330.71
MEDD-METHIONINEA1ZUE0.71
MEDD-METHIONINEA1KQ00.71
MEDD-METHIONINEA,B3GP40.71
MEDD-METHIONINEA1TKJ0.71
ESC2-AMINO-4-ETHYL SULFANYL BUTYRIC ACIDH,P1KBG0.7
C3YS-[(1S)-1-HYDROXY-1-(HYDROXYAMINO)ETHYL]-
L-CYSTEINE
A2UXY0.7
N2CN,S-DIMETHYLCYSTEINEA1XVK0.77
N2CN,S-DIMETHYLCYSTEINEA,C1XVR0.77
N2CN,S-DIMETHYLCYSTEINEA,B3GO30.77
MMEN-METHYL METHIONINEA,C,E,G,I,K,
M,O
1GK80.73
MMEN-METHYL METHIONINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V6A0.73
MMEN-METHYL METHIONINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V690.73
MMEN-METHYL METHIONINEA,E,S,W1WDD0.73
MMEN-METHYL METHIONINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V680.73
MMEN-METHYL METHIONINEA,B,C,D,S,T,
U,V
1IR10.73
MMEN-METHYL METHIONINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V670.73
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
1IR20.73
MMEN-METHYL METHIONINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V630.73
MMEN-METHYL METHIONINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2VDH0.73
MMEN-METHYL METHIONINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2VDI0.73
OCYHYDROXYETHYLCYSTEINEA1VSH0.7
OCYHYDROXYETHYLCYSTEINEA3FV80.7
OCYHYDROXYETHYLCYSTEINEA3FI30.7
OCYHYDROXYETHYLCYSTEINEA,B2R9S0.7
OCYHYDROXYETHYLCYSTEINEA1VSI0.7
OCYHYDROXYETHYLCYSTEINEA1VSJ0.7
OCYHYDROXYETHYLCYSTEINEA1VSD0.7
OCYHYDROXYETHYLCYSTEINEA3FI20.7
CSAS-ACETONYLCYSTEINEA,B1DWQ0.7
SC2N-ACETYL-L-CYSTEINEA,B,C,D,E,F,
G,H
2J580.73
SC2N-ACETYL-L-CYSTEINEA,B,C,D,E,F2J2P0.73
SC2N-ACETYL-L-CYSTEINEB,C,D,E,F2J1G0.73
SMCS-METHYLCYSTEINEA,B,C,E,F,H,
I,J,K,M,O,P,
R,T,V,W
1UZD0.74
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2VDI0.74
SMCS-METHYLCYSTEINEA1U8B0.74
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2VDH0.74
SMCS-METHYLCYSTEINEA1FQ40.74
SMCS-METHYLCYSTEINEA,B,C,D,E,F1HBO0.74
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V630.74
SMCS-METHYLCYSTEINEI1E820.74
SMCS-METHYLCYSTEINEI1E810.74
SMCS-METHYLCYSTEINEA,B,C,E,H,I,
J,K,M,O,P,R,
T,V,W
1UW90.74
SMCS-METHYLCYSTEINEA1LFO0.74
SMCS-METHYLCYSTEINEA,B,D,E,H,K,
O,R,V
1UWA0.74
SMCS-METHYLCYSTEINEA,C,D,F1MRO0.74
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
1IR20.74
SMCS-METHYLCYSTEINEA1ZGW0.74
SMCS-METHYLCYSTEINEE,I1EPN0.74
SMCS-METHYLCYSTEINEA,B,C2OB20.74
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V670.74
SMCS-METHYLCYSTEINEP1CZI0.74
SMCS-METHYLCYSTEINEA,C,D,F1E6Y0.74
SMCS-METHYLCYSTEINEA,I1GVT0.74
SMCS-METHYLCYSTEINEA,B,C,D,E,F1HBM0.74
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V680.74
SMCS-METHYLCYSTEINEA,B,C,E,F,H,
J,K,M,O,P,R,
T,V,W
1UZH0.74
SMCS-METHYLCYSTEINEA1EH70.74
SMCS-METHYLCYSTEINEA,C,E,G,I,K,
M,O
1GK80.74
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V6A0.74
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V690.74
SMCS-METHYLCYSTEINEA1WPK0.74
SMCS-METHYLCYSTEINEA,B,C,D,E,F1HBN0.74
SMCS-METHYLCYSTEINEA,B,C,D,E,F1HBU0.74
SLZL-THIALYSINEA,B,D,E,F2O6V0.73
SLZL-THIALYSINEA,B,D2J9K0.73
SLZL-THIALYSINEL1BM20.73
SLZL-THIALYSINEX3DIG0.73
SLZL-THIALYSINEA,B,C2J9J0.73
AEA(2-AMINO-2-CARBAMOYL-ETHYLSULFANYL)-
ACETIC ACID
I1BZH0.71
AEA(2-AMINO-2-CARBAMOYL-ETHYLSULFANYL)-
ACETIC ACID
A,B,C,D1MHH0.71
AGTS-{(S)-AMINO[(4-AMINOBUTYL)AMINO]METHYL}-
L-CYSTEINE
A3H7K0.71
AGTS-{(S)-AMINO[(4-AMINOBUTYL)AMINO]METHYL}-
L-CYSTEINE
A,B,C,D,E,F,
G,H
2JER0.71
CDT4-METHYLSULFANYL-2-UREIDO-BUTYRIC ACIDA,B1UF50.76
CMTO-METHYLCYSTEINEG1OMW0.77
CMTO-METHYLCYSTEINEA,G3CIK0.77
CMTO-METHYLCYSTEINEA1DOA0.77
NCYN-METHYLCYSTEINEA,C,E,G2ADW0.7
NCYN-METHYLCYSTEINEA1VS20.7
NCYN-METHYLCYSTEINEA1PFE0.7
NCYN-METHYLCYSTEINEA,B2DA80.7
NCYN-METHYLCYSTEINEC,D193D0.7
NCYN-METHYLCYSTEINEA1XVN0.7
NCYN-METHYLCYSTEINEA,B185D0.7
NCYN-METHYLCYSTEINEA1XVK0.7
NCYN-METHYLCYSTEINEA,C1XVR0.7
2MT(4R)-2,2-DIMETHYL-1,3-THIAZOLIDINE-
4-CARBOXYLIC ACID
A1SBU0.72
M0HS-(HYDROXYMETHYL)-L-CYSTEINEA2PFG0.73
0A8S-[(2-chloroethyl)carbamoyl]-L-
cysteine
A1GRG0.78
M2L(2R)-2-amino-3-(2-dimethylaminoethylsulfanyl)propanoic acidA2K3Y0.75
M2L(2R)-2-amino-3-(2-dimethylaminoethylsulfanyl)propanoic acidA,E3C1C0.75