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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01990413

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
C47METHYL (3R)-1-[(5S,6S,8R)-5-AMINO-
9-BUTYLAMINO-6-HYDROXY-3,3,8-TRIMETHYL-
9-OXO-NONANOYL]-3,4-DIHYDRO-2H-
QUINOLINE-3-CARBOXYLATE
C,O2V160.71
BANHONH-BENZYLMALONYL-L-ALANYLGLYCINE-
P-NITROANILIDE
A5TLN0.7
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.72
EBW4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-
3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-
2-ENYLBENZENAMINIUM
A1E3Q0.78
ENT3(R)-METHYLCARBAMOYL-7-SULFOAMINO-
3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID TERT-
BUTYL ESTER
A2F6Y0.71
HAZ4-{4-[2-(1A,7A-DIMETHYL-4-OXY-OCTAHYDRO-
1-OXA-4-AZA-CYCLOPROPA[A]NAPHTHALEN-
4-YL) -ACETYLAMINO]-PHENYLCARBAMOYL}-
BUTYRIC ACID
H,L1CF80.72
GA0GLYCYLALANYL-N-2-NAPHTHYL-L-PROLINEAMIDEA2DCM0.76
CRIA,B1VKG0.72
CBLCHLORAMBUCILA,B3CSJ0.73
GEPN-METHYL-N-(PARA-GLUTARAMIDOPHENYL-
ETHYL)-PIPERIDINIUM ION
L25C80.88
IN7[4-(4-PHENYL-PIPERIDIN-1-YL)-BENZENESULFONYLAMINO]-
ACETIC ACID
A1B8Y0.73
DR15-METHYL-5H-INDOLO[3,2-B]QUINOLINEA1K9G0.7
FEXA1OSH0.82
FRPN1-((2S,3S,5R)-3-AMINO-6-(4-FLUOROPHENYLAMINO)-
5-METHYL-6-OXO-1-PHENYLHEXAN-2-
YL)-N3,N3-DIPROPYLISOPHTHALAMIDE
A,B,C2FDP0.73
CVICRYSTAL VIOLETA,B,D,E1JTX0.7
BC13-{[(9-CYANO-9,10-DIHYDRO-10-METHYLACRIDIN-
9-YL)CARBONYL]AMINO}PROPANOIC ACID
H,Y1LO00.75
AFF2-ACETYLAMINOFLUORENE-3-YLA2GE20.7
AAHH1KEL0.72
AAHB,H1FL60.72
1C23(S)-METHYLCARBAMOYL-7-SULFOAMINO-
3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID TERT-
BUTYL ESTER
A2F6T0.71