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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00055012

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.7
FBA4-FLUOROBENZYLAMINEA1TNH0.7
DHQ3,4-DIHYDRO-5-METHYL-ISOQUINOLINONEA1PAX0.73
AC01-PHENYLETHANONEA1ZK10.72
AC01-PHENYLETHANONEA1ZK40.72
LSA1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-
DIOXIDE
A2Q1B0.71
LSA1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-
DIOXIDE
A2Q380.71
FPA1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDEE,I4EST0.71
U1N4-[(3R)-3-{[2-(4-FLUOROPHENYL)-
2-OXOETHYL]AMINO}BUTYL]BENZAMIDE
A,B2OGZ0.72
SP8N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNS0.73
3AB3-aminobenzamideA,B,C,D3GOY0.75
APF1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-
2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
B,C1GG60.7
APF1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-
2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
G6GCH0.7
6054'-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]biphenyl-
3-carboxamide
A,B3D4L0.79
KR2(2R)-4-(2-BENZOYL-1,2-DIAZEPAN-
1-YL)-4-OXO-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-
2-AMINE
A,B2OLE0.71
BHOBENZHYDROXAMIC ACIDA,B1GX20.83
BHOBENZHYDROXAMIC ACIDA1HSR0.83
BHOBENZHYDROXAMIC ACIDA,B2ATJ0.83
BHOBENZHYDROXAMIC ACIDA,B4ATJ0.83
BHOBENZHYDROXAMIC ACIDA,B3ATJ0.83
BHOBENZHYDROXAMIC ACIDA3GCK0.83
BHOBENZHYDROXAMIC ACIDA,B,C,D,E,F,
G,H
2BOY0.83
BVATRIHYDROXY[(N-HYDROXYBENZAMIDATO)OXO]VANADATEB,C2P8O0.79
FFBN-(2,3,4,5,6-PENTAFLOURO-BENZYL)-
4-SULFAMOYL-BENZAMIDE
A1G4J0.7
FFBN-(2,3,4,5,6-PENTAFLOURO-BENZYL)-
4-SULFAMOYL-BENZAMIDE
A1G540.7
SP9N-{(1R)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNT0.73
RXAisoquinoline-1,3,4(2H)-trioneA,B,C,D3DEH0.74
PHMPHENYLALANYLMETHANEA,I1PJP0.7
PHMPHENYLALANYLMETHANEA,B,C2J9J0.7
PHMPHENYLALANYLMETHANEA,B,C2JE40.7
NFAPHENYLALANINE AMIDEA,B,C,D2BTJ0.73
NFAPHENYLALANINE AMIDEA,B,C,D,E,F2EFX0.73
NFAPHENYLALANINE AMIDEA,B,C,D2VVJ0.73
NFAPHENYLALANINE AMIDEA2A4O0.73
NFAPHENYLALANINE AMIDEA,B1XAE0.73
NFAPHENYLALANINE AMIDEA,B,C,D2OGR0.73
NFAPHENYLALANINE AMIDEA,B,C,D1QA70.73
NFAPHENYLALANINE AMIDEA,B,C,D2GW40.73