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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00254220

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
4PIN-(4-METHYLBENZOYL)-4-BENZYLPIPERIDINEA,B2NSD0.71
1BHN-BENZYLOXYCARBONYL-ALA-PRO-3-AMINO-
4-PHENYL-BUTAN-2-OL
A1BH60.72
687N-ACETYL-N-[1-(1,1'-BIPHENYL-4-
YLMETHYL)-2-OXOAZEPAN-3-YL]-3-FORMYL-
O-PHOSPHONOTYROSINAMIDE
A1O450.71
314N'-[(1S,2R)-2-[(2R,4S)-4-benzylpiperidin-
2-yl]-1-(3,5-difluorobenzyl)-2-
hydroxyethyl]-5-methyl-N,N-dipropylbenzene-
1,3-dicarboxamide
A,B3CIB0.71
23C2-[(1R)-1-carboxy-2-naphthalen-
1-ylethyl]-1,3-dioxo-2,3-dihydro-
1H-isoindole-5-carboxylic acid
A,B2R9W0.72
1974-[2-ACETYLAMINO-2-(1-BIPHENYL-
4-YLMETHYL-2-OXO-AZEPAN-3-YLCARBAMOYL)-
ETHYL]-2-FORMYL-BENZOIC ACID
A1O4A0.79
2013-AMIDO-5-BIPHENYL-BENZOIC ACIDA2B0M0.72
4BA4-[(2-CARBOXY-ETHYLAMINO)-METHYL]-
BENZOIC ACID
C1FAV0.7
578(5R,6S,8S)-8-[3-(AMINOMETHYL)PHENYL]-
6-HYDROXY-5-ISOPROPYL-3-OXO-1-PHENYL-
2,7-DIOXA-4-AZA-6-PHOSPHANONAN-
9-OIC ACID 6-OXIDE
A,B,C2PJ10.71
7123-({[(1R)-1-(4-FLUOROPHENYL)ETHYL]AMINO}CARBONYL)-
5-[METHYL(METHYLSULFONYL)AMINO]BENZYL ALPHA-
METHYL-D-PHENYLALANINATE
A2PH60.72
821A1O430.76
316N'-[(1S,2S)-2-[(2S)-4-benzyl-3-
oxopiperazin-2-yl]-1-(3,5-difluorobenzyl)-
2-hydroxyethyl]-5-methyl-N,N-dipropylbenzene-
1,3-dicarboxamide
A,B3CIC0.71
2T12-[({4-[2-(trifluoromethyl)phenyl]piperidin-
1-yl}carbonyl)amino]benzoic acid
A,B3FMZ0.7
186[1-(1-METHYL-4,5-DIOXO-PENT-2-ENYLCARBAMOYL)-
2-PHENYL-ETHYL]-CARBAMIC ACID BENZYL ESTER
X1U9Q0.79
51UD-phenylalanyl-N-(3-methylbenzyl)-
L-prolinamide
H,I2ZF00.72
3FL3-{[(4-{[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-
4-yl)methyl]amino}butyl)amino]methyl}benzoic acid
A,B3FCL0.75
401(2S)-2-{3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]-
4-methoxybenzyl}butanoic acid
A,B2ZNQ0.73
008(S)-2-[(R)-3-AMINO-4-(2-FLUORO-
PHENYL)-BUTYRYL]-1,2,3,4-TETRAHYDRO-
ISOQUINOLINE-3-CARBOXYLIC ACID AMIDE
A,B,C,D2BUC0.73
77BBENZYL N-({(2S,3S)-3-[(BENZYLAMINO)CARBONYL]OXIRAN-
2-YL}CARBONYL)-L-ISOLEUCYL-L-PROLINATE
A2DCC0.73
3CBN-[(3-CARBOXYBENZYL)SULFONYL]ISOLEUCYL-
N~1~-{4-[AMINO(IMINO)METHYL]BENZYL}-
5-IMINOORNITHINAMIDE
H,L1WSS0.72