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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02425805

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CY4S-BUTYRYL-CYSTEINA,B,C,D1M4T0.71
SC2N-ACETYL-L-CYSTEINEA,B,C,D,E,F,
G,H
2J580.72
SC2N-ACETYL-L-CYSTEINEA,B,C,D,E,F2J2P0.72
SC2N-ACETYL-L-CYSTEINEB,C,D,E,F2J1G0.72
AMEN-ACETYLMETHIONINEA,B,C,D1SJA0.72
AMEN-ACETYLMETHIONINEA,B2J4Y0.72
SCYS-ACETYL-CYSTEINEA,B,C,D1XPK0.72
SCYS-ACETYL-CYSTEINEA,B,C,D1XPL0.72
SCYS-ACETYL-CYSTEINEA,B2P8U0.72
SCYS-ACETYL-CYSTEINEA2FA30.72
SCYS-ACETYL-CYSTEINEA,B,C,D2F2S0.72
SCYS-ACETYL-CYSTEINEA1MJA0.72
SCYS-ACETYL-CYSTEINEA1HNH0.72
SCYS-ACETYL-CYSTEINEA,B,C,D1XPM0.72
SCYS-ACETYL-CYSTEINEA,B,C,D1DM30.72
SCYS-ACETYL-CYSTEINEA,B,C,D1QFL0.72
SCYS-ACETYL-CYSTEINEA,B,C,D1NL70.72
SCYS-ACETYL-CYSTEINEA2BV50.72
SCYS-ACETYL-CYSTEINEA,B,C,D1M4S0.72
PRSTHIOPROLINEA1SAV0.83
NCYN-METHYLCYSTEINEA,C,E,G2ADW0.76
NCYN-METHYLCYSTEINEA1VS20.76
NCYN-METHYLCYSTEINEA1PFE0.76
NCYN-METHYLCYSTEINEA,B2DA80.76
NCYN-METHYLCYSTEINEC,D193D0.76
NCYN-METHYLCYSTEINEA1XVN0.76
NCYN-METHYLCYSTEINEA,B185D0.76
NCYN-METHYLCYSTEINEA1XVK0.76
NCYN-METHYLCYSTEINEA,C1XVR0.76
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
CY1ACETAMIDOMETHYLCYSTEINEA,D1D5M0.72
ALP2-(1-CARBOXY-2-HYDROXY-ETHYL)-5,5-
DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID
A1TEM0.7
M2L(2R)-2-amino-3-(2-dimethylaminoethylsulfanyl)propanoic acidA2K3Y0.72
M2L(2R)-2-amino-3-(2-dimethylaminoethylsulfanyl)propanoic acidA,E3C1C0.72
I38N-(3-MERCAPTOPROPANOYL)-D-ALANINEA2QDT0.71
N2CN,S-DIMETHYLCYSTEINEA1XVK0.8
N2CN,S-DIMETHYLCYSTEINEA,C1XVR0.8
N2CN,S-DIMETHYLCYSTEINEA,B3GO30.8
GSC2-ETHYLTHIO GLYCINEA1FQ60.71
2MT(4R)-2,2-DIMETHYL-1,3-THIAZOLIDINE-
4-CARBOXYLIC ACID
A1SBU0.91
SMCS-METHYLCYSTEINEA,B,C,E,F,H,
I,J,K,M,O,P,
R,T,V,W
1UZD0.7
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2VDI0.7
SMCS-METHYLCYSTEINEA1U8B0.7
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2VDH0.7
SMCS-METHYLCYSTEINEA1FQ40.7
SMCS-METHYLCYSTEINEA,B,C,D,E,F1HBO0.7
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V630.7
SMCS-METHYLCYSTEINEI1E820.7
SMCS-METHYLCYSTEINEI1E810.7
SMCS-METHYLCYSTEINEA,B,C,E,H,I,
J,K,M,O,P,R,
T,V,W
1UW90.7
SMCS-METHYLCYSTEINEA1LFO0.7
SMCS-METHYLCYSTEINEA,B,D,E,H,K,
O,R,V
1UWA0.7
SMCS-METHYLCYSTEINEA,C,D,F1MRO0.7
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
1IR20.7
SMCS-METHYLCYSTEINEA1ZGW0.7
SMCS-METHYLCYSTEINEE,I1EPN0.7
SMCS-METHYLCYSTEINEA,B,C2OB20.7
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V670.7
SMCS-METHYLCYSTEINEP1CZI0.7
SMCS-METHYLCYSTEINEA,C,D,F1E6Y0.7
SMCS-METHYLCYSTEINEA,I1GVT0.7
SMCS-METHYLCYSTEINEA,B,C,D,E,F1HBM0.7
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V680.7
SMCS-METHYLCYSTEINEA,B,C,E,F,H,
J,K,M,O,P,R,
T,V,W
1UZH0.7
SMCS-METHYLCYSTEINEA1EH70.7
SMCS-METHYLCYSTEINEA,C,E,G,I,K,
M,O
1GK80.7
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V6A0.7
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V690.7
SMCS-METHYLCYSTEINEA1WPK0.7
SMCS-METHYLCYSTEINEA,B,C,D,E,F1HBN0.7
SMCS-METHYLCYSTEINEA,B,C,D,E,F1HBU0.7
MSA(2-S-METHYL) SARCOSINEC1CWK0.78
MSA(2-S-METHYL) SARCOSINEC1CWJ0.78
ML32-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-
N,N,N-trimethylethanaminium
F3C1B0.71