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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03563117

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
4BQ(2S)-2-amino-5-oxo-5-[(4-phenylmethoxyphenyl)amino]pentanoic acidA3CHQ0.77
B68(2S)-3-[4-(acetylamino)phenoxy]-
2-hydroxy-2-methyl-N-[4-nitro-3-
(trifluoromethyl)phenyl]propanamide
A3B680.71
4BO(3S)-3-amino-4-oxo-4-[(4-phenylmethoxyphenyl)amino]butanoic acidA3CHP0.79
7714-(4-BENZYLOXY-2-METHANESULFONYLAMINO-
5-METHOXY-BENZYLAMINO)-BENZAMIDINE
H,L1W0Y0.76
AL8(R)-3,4-DIHYDRO-2-(3-METHOXYPHENYL)-
4-METHYLAMINO-2H-THIENO[3,2-E]-
1,2-THIAZINE-6-SULFONAMIDE-1,1-
DIOXIDE
A1BNM0.72
9971-[3,3-DIMETHYL-2-(2-METHYLAMINO-
PROPIONYLAMINO)-BUTYRYL]-4-PHENOXY-
PYRROLIDINE-2-CARBOXYLIC ACID(1,2,3,4-
TETRAHYDRO-NAPHTHALEN-1-YL)-AMIDE
A1TFT0.71
3B6(2S)-N-(4-cyano-3-iodophenyl)-3-
(4-cyanophenoxy)-2-hydroxy-2-methylpropanamide
A3B650.71
B11N-[3-(4-FLUOROPHENOXY)PHENYL]-4-
[(2-HYDROXYBENZYL)AMINO]PIPERIDINE-
1-SULFONAMIDE
A1ZZ20.75
413(S)-[(R)-2-(4-BENZYLOXY-3-METHOXY-
PHENYL)-2-(4-CARBAMIMIDOYL-PHENYLAMINO)-
ACETYLAMINO]-PHENYL-ACETIC ACID
H,L1W7X0.75
413(S)-[(R)-2-(4-BENZYLOXY-3-METHOXY-
PHENYL)-2-(4-CARBAMIMIDOYL-PHENYLAMINO)-
ACETYLAMINO]-PHENYL-ACETIC ACID
H1W8B0.75
4BU(2S)-2-amino-5-[[4-[(2S)-2-hydroxy-
2-phenyl-ethoxy]phenyl]amino]-5-
oxo-pentanoic acid
A3CHS0.76
4BS4-amino-N-[4-(benzyloxy)phenyl]butanamideA3CHR0.8
331(2S)-2-(4-[2-(3-[2,4-DIFLUOROPHENYL]-
1-HEPTYLUREIDO)ETHYL]PHENOXY)-2-
METHYLBUTYRIC ACID
A,B1Y0S0.72
012(4S)-N-[(1S,2R)-1-benzyl-3-{[3-
(dimethylamino)benzyl]amino}-2-
hydroxypropyl]-1-(3-methoxybenzyl)-
2-oxoimidazolidine-4-carboxamide
A,B,C3CKP0.78
AA63-[4,5-DIHYDROXY-2-2-(2-HYDROXYETHYLAMINO)-
PHENYL]-2-METHYLAMINO-PROPIONIC ACID
E,I1QR30.7
380(2R)-2-({4-[AMINO(IMINO)METHYL]PHENYL}AMINO)-
N-BENZYL-2-(3,4-DIMETHOXYPHENYL)ACETAMIDE
H,L1W2K0.8
AL7(S)-3,4-DIHYDRO-2-(3-METHOXYPHENYL)-
4-METHYLAMINO-2H-THIENO[3,2-E]-
1,2-THIAZINE-6-SULFONAMIDE-1,1-
DIOXIDE
A1BNV0.72
C78[1-[1-(6-CARBAMOYL-CYCLOHEX-2-ENYLCARBAMOYL)-
CYCLOHEXYLCARBAMOYL]-2-(4-PHOSPHONOOXY-
PHENYL)- ETHYL]-CARBAMIC ACID 3-
AMINOBENZYLESTER
A,B,C,D,E,F,
G,H,I,J,K,L
1CJ10.7
4BGN-[4-(benzyloxy)phenyl]glycinamideA3CHO0.82
BBH1-BENZYL-3-(4-METHOXY-BENZENESULFONYL)-
6-OXO-HEXAHYDRO-PYRIMIDINE-4-CARBOXYLIC ACID HYDROXYAMIDE
A,B1D8M0.7
BBH1-BENZYL-3-(4-METHOXY-BENZENESULFONYL)-
6-OXO-HEXAHYDRO-PYRIMIDINE-4-CARBOXYLIC ACID HYDROXYAMIDE
A,B1G050.7
BIQBENZYL [12-(2-AMINO-2-OXOETHYL)-
4-NITRO-10,13-DIOXO-15-[(PROPYLAMINO)CARBONYL]-
2-OXA-11,14-DIAZATRICYCLO[15 .2.2.1~3,7~]DOCOSA-
1(19),3(22),4,6,17,20-HEXAEN-9-
YL]CARBAMATE
H,V2GPL0.7