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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02544384

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
S2DN-BENZOYL-D-ALANINEA,B2JCI0.71
4PIN-(4-METHYLBENZOYL)-4-BENZYLPIPERIDINEA,B2NSD0.76
KHA1-(4-{[(2-HYDROXYETHYL)AMINO]CARBONYL}BENZYL)-
1-METHYLPIPERIDINIUM
H,L,X,Y1UWG0.7
LEG1-(4-HEXYLPHENYL)PROP-2-EN-1-ONEA,B2PIN0.76
SP8N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNS0.77
BHOBENZHYDROXAMIC ACIDA,B1GX20.84
BHOBENZHYDROXAMIC ACIDA1HSR0.84
BHOBENZHYDROXAMIC ACIDA,B2ATJ0.84
BHOBENZHYDROXAMIC ACIDA,B4ATJ0.84
BHOBENZHYDROXAMIC ACIDA,B3ATJ0.84
BHOBENZHYDROXAMIC ACIDA3GCK0.84
BHOBENZHYDROXAMIC ACIDA,B,C,D,E,F,
G,H
2BOY0.84
RXAisoquinoline-1,3,4(2H)-trioneA,B,C,D3DEH0.71
BSA2-(BENZOYLAMINO)ETHANESULFONIC ACIDA1YQS0.71
DHQ3,4-DIHYDRO-5-METHYL-ISOQUINOLINONEA1PAX0.72
3AB3-aminobenzamideA,B,C,D3GOY0.75
6054'-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]biphenyl-
3-carboxamide
A,B3D4L0.71
AC01-PHENYLETHANONEA1ZK10.76
AC01-PHENYLETHANONEA1ZK40.76
LSA1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-
DIOXIDE
A2Q1B0.73
LSA1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-
DIOXIDE
A2Q380.73
HBXbenzaldehydeA,B3GDN0.74
NFAPHENYLALANINE AMIDEA,B,C,D2BTJ0.7
NFAPHENYLALANINE AMIDEA,B,C,D,E,F2EFX0.7
NFAPHENYLALANINE AMIDEA,B,C,D2VVJ0.7
NFAPHENYLALANINE AMIDEA2A4O0.7
NFAPHENYLALANINE AMIDEA,B1XAE0.7
NFAPHENYLALANINE AMIDEA,B,C,D2OGR0.7
NFAPHENYLALANINE AMIDEA,B,C,D1QA70.7
NFAPHENYLALANINE AMIDEA,B,C,D2GW40.7
BVATRIHYDROXY[(N-HYDROXYBENZAMIDATO)OXO]VANADATEB,C2P8O0.79
U1N4-[(3R)-3-{[2-(4-FLUOROPHENYL)-
2-OXOETHYL]AMINO}BUTYL]BENZAMIDE
A,B2OGZ0.71
BZQDIPHENYLMETHANONEA,B1GT50.72
BZQDIPHENYLMETHANONEA,B1DZP0.72
SP9N-{(1R)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNT0.77