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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02124653

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
4CR(1R)-4-({[ETHYL(METHYL)AMINO]CARBONYL}OXY)-
N-METHYL-N-[(1E)-PROP-2-EN-1-YLIDENE]INDAN-
1-AMINIUM
A,B2C650.72
4BGN-[4-(benzyloxy)phenyl]glycinamideA3CHO0.7
189N-BENZYL-2-(2,6-DIMETHYLPHENOXY)-
N-[((3R,4S)-4-{[ISOBUTYL(PHENYLSULFONYL)AMINO]METHYL}PYRROLIDIN-
3-YL)METHYL]ACETAMIDE
A,B1XL20.71
AXL2-{1-[2-AMINO-2-(4-HYDROXY-PHENYL)-
ACETYLAMINO]-2-OXO-ETHYL}-5,5-DIMETHYL-
THIAZOLIDINE-4-CARBOXYLIC ACID
B1LL90.71
Y124-{(1E)-3-OXO-3-[(2-PHENYLETHYL)AMINO]PROP-
1-EN-1-YL}-1,2-PHENYLENE DIACETATE
A2EW50.76
MC1METHICILLIN ACYL-SERINEA,B1MWU0.72
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
11N1-[1'-(3-phenylacryloyl)spiro[1-
benzofuran-3,4'-piperidin]-5-yl]methanamine
A,B,C,D2ZEC0.72
ABYN-(4-AMINOBUTANOYL)-S-(4-METHOXYBENZYL)-
L-CYSTEINYLGLYCINE
A,B1PL20.76
ABYN-(4-AMINOBUTANOYL)-S-(4-METHOXYBENZYL)-
L-CYSTEINYLGLYCINE
A,B1PL10.76
NFN6-[[(2-ETHOXY-1-NAPHTHALENYL)CARBONYL]AMINO]-
3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-
2-CARBOXYLATE
A1T9W0.72
LIJBENZYL [(1S)-2-({(1S,2R)-1-BENZYL-
2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}AMINO)-
2-OXO-1-{[(1-PROPYLBUTYL)SULFONYL]METHYL}ETHYL]CARBAMATE
A,B,C2HIZ0.79
F1IN-[1-(2,6-dimethoxybenzyl)piperidin-
4-yl]-4-sulfanylbutanamide
A2ZJI0.76
F1LN-[1-(5-bromo-2,3-dimethoxybenzyl)piperidin-
4-yl]-4-sulfanylbutanamide
A2ZJL0.73
R23METHYL-[4-(4-PIPERIDINE-1-YLMETHYL-
PHENYL)-CYCLOHEXYL]-CARBAMINIC ACID-
(4-CHLOROPHENYL)-ESTER
A,B,C1O790.71
MO9(1R)-2-[(CYANOMETHYL)AMINO]-1-({[2-
(DIFLUOROMETHOXY)BENZYL]SULFONYL}METHYL)-
2-OXOETHYL MORPHOLINE-4-CARBOXYLATE
A,B2G7Y0.72
4BS4-amino-N-[4-(benzyloxy)phenyl]butanamideA3CHR0.71
K214-[3-{1-(4-BENZYL)PIPERODINYL}PROPIONYL]-
7-METHOXY-2,3,4,5-TERTRAHYDRO-1,4-
BENZOTHIAZEPINE
A,B1HAK0.78
NOQ(1R,2R)-N-(2-AMINOETHYL)-2-{[(4-
METHOXYPHENYL)SULFONYL]METHYL}CYCLOHEXANECARBOXAMIDE
A2F7D0.73
GNQN-[(1R)-1-[(BENZYLSULFONYL)METHYL]-
2-{[(1S)-1-METHYL-2-{[4-(TRIFLUOROMETHOXY)PHENYL]AMINO}ETHYL]AMINO}-
2-OXOETHYL]MORPHOLINE-4-CARBOXAMIDE
A,B2HHN0.7
GNQN-[(1R)-1-[(BENZYLSULFONYL)METHYL]-
2-{[(1S)-1-METHYL-2-{[4-(TRIFLUOROMETHOXY)PHENYL]AMINO}ETHYL]AMINO}-
2-OXOETHYL]MORPHOLINE-4-CARBOXAMIDE
A,B2HH50.7