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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03371145

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
HBC(2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT-
2-YL)-PHENYL-METHANONE
H1JGU0.72
S27N-[[2-METHYL-4-HYDROXYCARBAMOYL]BUT-
4-YL-N]-BENZYL-P-[PHENYL]-P-[METHYL]PHOSPHINAMID
A,B1B3D0.7
BIF(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACIDG,M,P,S1YYL0.72
BIF(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACIDG,M,P,S2I5Y0.72
9TA1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)-
ETHYLAMINO]-ANTHRAQUINONE
A,B1FDG0.72
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.75
4AF4-ACETYL-L-PHENYLALANINEA1ZH60.72
IOE4-(AMINOSULFONYL)-N-[(2,4,6-TRIFLUOROPHENYL)METHYL]-
BENZAMIDE
A1I9P0.72
IOC4-(AMINOSULFONYL)-N-[(2,3,4-TRIFLUOROPHENYL)METHYL]-
BENZAMIDE
A1I9O0.72
IPOPARA-IODO-D-PHENYLALANINE HYDROXAMIC ACIDA1IGB0.77
JNH1-[2-(S)-AMINO-3-BIPHENYL-4-YL-
PROPIONYL]-PYRROLIDINE-2-(S)-CARBONITRILE
I,J2AJL0.71
IOA4-(AMINOSULFONYL)-N-[(2,5-DIFLUOROPHENYL)METHYL]-
BENZAMIDE
A1I9N0.72
R01(4'-{[ALLYL(METHYL)AMINO]METHYL}-
1,1'-BIPHENYL-4-YL)(4-BROMOPHENYL)METHANONE
A,B,C1H350.7
KR2(2R)-4-(2-BENZOYL-1,2-DIAZEPAN-
1-YL)-4-OXO-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-
2-AMINE
A,B2OLE0.74
F6BN-(2,6-DIFLOURO-BENZYL)-4-SULFAMOYL-
BENZAMIDE
A1G480.72
F6BN-(2,6-DIFLOURO-BENZYL)-4-SULFAMOYL-
BENZAMIDE
A1G530.72
BHOBENZHYDROXAMIC ACIDA,B1GX20.86
BHOBENZHYDROXAMIC ACIDA1HSR0.86
BHOBENZHYDROXAMIC ACIDA,B2ATJ0.86
BHOBENZHYDROXAMIC ACIDA,B4ATJ0.86
BHOBENZHYDROXAMIC ACIDA,B3ATJ0.86
BHOBENZHYDROXAMIC ACIDA3GCK0.86
BHOBENZHYDROXAMIC ACIDA,B,C,D,E,F,
G,H
2BOY0.86
HPQHOMOPHENYLALANINYLMETHANEB1EWP0.7
3AB3-aminobenzamideA,B,C,D3GOY0.73
SP9N-{(1R)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNT0.76
IOF4-(AMINOSULFONYL)-N-[(3,4,5-TRIFLUOROPHENYL)METHYL]-
BENZAMIDE
A1I9Q0.72
2013-AMIDO-5-BIPHENYL-BENZOIC ACIDA2B0M0.72
DHQ3,4-DIHYDRO-5-METHYL-ISOQUINOLINONEA1PAX0.77
FPBN-({(2S)-1-[(3R)-3-AMINO-4-(2-FLUOROPHENYL)BUTANOYL]PYRROLIDIN-
2-YL}METHYL)BENZAMIDE
A,B2BUB0.74
KHA1-(4-{[(2-HYDROXYETHYL)AMINO]CARBONYL}BENZYL)-
1-METHYLPIPERIDINIUM
H,L,X,Y1UWG0.74
CRIA,B1VKG0.72
SAB4-SULFONAMIDE-[1-(4-AMINOBUTANE)]BENZAMIDEA1OKM0.71
TSNTRICHOSTATIN AA,B1T640.71
TSNTRICHOSTATIN AA,B1C3R0.71
TSNTRICHOSTATIN AA,B,C3F0R0.71
TSNTRICHOSTATIN AA,B,C3C100.71
PBFPARA-(BENZOYL)-PHENYLALANINEA2FR90.75
PBFPARA-(BENZOYL)-PHENYLALANINEA,B1EEN0.75
PBFPARA-(BENZOYL)-PHENYLALANINEA2HGZ0.75
PBFPARA-(BENZOYL)-PHENYLALANINEA2FRB0.75
NAMNAM NAPTHYLAMINOALANINEA,B,I,J3FIV0.77
NAMNAM NAPTHYLAMINOALANINEA,B,I,J2FIV0.77
FFBN-(2,3,4,5,6-PENTAFLOURO-BENZYL)-
4-SULFAMOYL-BENZAMIDE
A1G4J0.72
FFBN-(2,3,4,5,6-PENTAFLOURO-BENZYL)-
4-SULFAMOYL-BENZAMIDE
A1G540.72
INV4-(AMINOSULFONYL)-N-[(4-FLUOROPHENYL)METHYL]-
BENZAMIDE
A1I9L0.73
GK5N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)-
6-methylbiphenyl-3,4'-dicarboxamide
A3D7Z0.79
SP8N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNS0.76
ICXmethyl N-[(5Z)-6-({[4-(4-iodobenzyl)phenyl]carbonyl}amino)hex-
5-enoyl]glycinate
A,C,D,E,G,P,
Q,R,W
3CWB0.72
BSBN-BENZYL-4-SULFAMOYL-BENZAMIDEA1G4O0.75
4PIN-(4-METHYLBENZOYL)-4-BENZYLPIPERIDINEA,B2NSD0.77
BZQDIPHENYLMETHANONEA,B1GT50.73
BZQDIPHENYLMETHANONEA,B1DZP0.73
FA4SM-25453A,B2D1O0.7
FA4SM-25453A,B2D1N0.7
I062-PHENETHYL-2,3-DIHYDRO-PHTHALAZINE-
1,4-DIONE
D,E,F,G,H,L,
M,N,O,P
1EEF0.76
F2BN-(2,3-DIFLUORO-BENZYL)-4-SULFAMOYL-
BENZAMIDE
A1G460.72
F2BN-(2,3-DIFLUORO-BENZYL)-4-SULFAMOYL-
BENZAMIDE
A1G520.72
NALBETA-(2-NAPHTHYL)-ALANINEA,B2ITK0.7
NALBETA-(2-NAPHTHYL)-ALANINEH,I4THN0.7
NALBETA-(2-NAPHTHYL)-ALANINEA,B2Q5A0.7
NALBETA-(2-NAPHTHYL)-ALANINEA1ZWU0.7
NALBETA-(2-NAPHTHYL)-ALANINEA1SKL0.7
NALBETA-(2-NAPHTHYL)-ALANINEH,I5GDS0.7
NALBETA-(2-NAPHTHYL)-ALANINEA1ZH00.7
NALBETA-(2-NAPHTHYL)-ALANINEA,B2JT90.7
PHMPHENYLALANYLMETHANEA,I1PJP0.7
PHMPHENYLALANYLMETHANEA,B,C2J9J0.7
PHMPHENYLALANYLMETHANEA,B,C2JE40.7
BSA2-(BENZOYLAMINO)ETHANESULFONIC ACIDA1YQS0.72
FSBN-(2-FLOURO-BENZYL)-4-SULFAMOYL-
BENZAMIDE
A1G450.73
FSBN-(2-FLOURO-BENZYL)-4-SULFAMOYL-
BENZAMIDE
A1G1D0.73
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B,C,D1SN90.72
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B1SNE0.72
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B,C,D1SNA0.72
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B1XOF0.72
INW4-(AMINOSULFONYL)-N-[(2,4-DIFLUOROPHENYL)METHYL]-
BENZAMIDE
A1I9M0.72
6054'-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]biphenyl-
3-carboxamide
A,B3D4L0.83
NFAPHENYLALANINE AMIDEA,B,C,D2BTJ0.75
NFAPHENYLALANINE AMIDEA,B,C,D,E,F2EFX0.75
NFAPHENYLALANINE AMIDEA,B,C,D2VVJ0.75
NFAPHENYLALANINE AMIDEA2A4O0.75
NFAPHENYLALANINE AMIDEA,B1XAE0.75
NFAPHENYLALANINE AMIDEA,B,C,D2OGR0.75
NFAPHENYLALANINE AMIDEA,B,C,D1QA70.75
NFAPHENYLALANINE AMIDEA,B,C,D2GW40.75
U1N4-[(3R)-3-{[2-(4-FLUOROPHENYL)-
2-OXOETHYL]AMINO}BUTYL]BENZAMIDE
A,B2OGZ0.79
BAGN-[(E)-2-AMINO-1-(3-{[AMINO(IMINO)METHYL]AMINO}PROPYL)-
2-HYDROXYVINYL]BENZAMIDE
A1WDA0.7
BVATRIHYDROXY[(N-HYDROXYBENZAMIDATO)OXO]VANADATEB,C2P8O0.83
RXAisoquinoline-1,3,4(2H)-trioneA,B,C,D3DEH0.72