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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03000583

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
SVRA3GAN0.83
SVRA,B2NYR0.83
SVRH2H9T0.83
SVRA,B1Y4L0.83
SVRA,B,C,E,F,G,H3BJW0.83
SVRA,B1Y8E0.83
SVRH3BF60.83
B22[2,2'-{[2-({3-[({2-[4-(AMINOSULFONYL)PHENYL]ETHYL}AMINO)CARBONYL]PHENYL}AMINO)-
2-OXOETHYL]IMINO}DIACETATO(2-)-
KAPPAO]COPPER		A2FOU0.73
TK42-ACETYLAMINO-NAPTHALENE-1,5-DISULFONIC ACIDH,L1C5C0.74
GIN2-{[(6-OXO-1,6-DIHYDROPYRIDIN-3-
YL)METHYL]AMINO}-N-[4-PROPYL-3-
(TRIFLUOROMETHYL)PHENYL]BENZAMIDE		A,B2HZ00.71
BOSN-[4-(AMINOSULFONYL)PHENYL]-2-MERCAPTOBENZAMIDEA2HD60.78
H186-CHLORO-4-(CYCLOHEXYLSULFINYL)-
3-PROPYLQUINOLIN-2(1H)-ONE		A1TL10.7
DY62-({[3-(3,4-dihydroisoquinolin-
2(1H)-ylsulfonyl)phenyl]carbonyl}amino)benzoic acid		A,B3DY60.73
1556-[(Z)-AMINO(IMINO)METHYL]-N-(1-
ISOPROPYL-3,4-DIHYDROISOQUINOLIN-
7-YL)-2-NAPHTHAMIDE		A1OWJ0.71
6756-[(Z)-AMINO(IMINO)METHYL]-N-PHENYL-
2-NAPHTHAMIDE		A1OWE0.75
CRIA,B1VKG0.74
DBRADAMANTANE-1-CARBOXYLIC ACID-5-
DIMETHYLAMINO-NAPHTHALENE-1-SULFONYLAMINO-
BUTYL-AMIDE		A1RF90.78
DNSN~6~-{[5-(DIMETHYLAMINO)-1-NAPHTHYL]SULFONYL}-
L-LYSINE		H1WZ10.7
4976-[AMINO(IMINO)METHYL]-N-[(4R)-
4-ETHYL-1,2,3,4-TETRAHYDROISOQUINOLIN-
6-YL]-2-NAPHTHAMIDE		A1OWD0.72
25D2-cyclohexyl-N-[(3-{[(2,4,6-trimethylphenyl)carbamoyl]amino}naphthalen-
2-yl)carbonyl]-D-alanine		A,B3DD10.71
DSOADAMANTANE-1-CARBOXYLIC ACID-5-
DIMETHYLAMINO-NAPHTHALENE-1-SULFONYLAMINO-
OCTYL-AMIDE		A1LWL0.78
DSOADAMANTANE-1-CARBOXYLIC ACID-5-
DIMETHYLAMINO-NAPHTHALENE-1-SULFONYLAMINO-
OCTYL-AMIDE		A1RE90.78
AEN5-(1-SULFONAPHTHYL)-ACETYLAMINO-
ETHYLAMINE		A1RAR0.74
AEN5-(1-SULFONAPHTHYL)-ACETYLAMINO-
ETHYLAMINE		A1RAS0.74
12BBENZO[CD]INDOL-2(1H)-ONEA,B2F670.74
4EB4-({2-[(2,4-DIMETHYLPHENYL)SULFANYL]ETHYL}AMINO)-
N-[(4'-FLUORO-1,1'-BIPHENYL-4-YL)CARBONYL]-
3-NITROBENZENESULFONAMIDE		A1YSX0.75
P34N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-
5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE		A,B3GEY0.72
P34N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-
5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE		A3CE00.72
P34N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-
5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE		A,B1XK90.72
P34N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-
5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE		A2Q6M0.72
P34N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-
5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE		A,B,C,D,E,F1ZM90.72
2AN1-ANILINO-8-NAPHTHALENE SULFONATEA,B3CFN0.74
2AN1-ANILINO-8-NAPHTHALENE SULFONATEA,B2ANS0.74
2AN1-ANILINO-8-NAPHTHALENE SULFONATEA,B1OW40.74
2AN1-ANILINO-8-NAPHTHALENE SULFONATEA1EYN0.74
2AN1-ANILINO-8-NAPHTHALENE SULFONATEA,B1TXC0.74
G4G4,4'-{(3S,4S)-PYRROLIDINE-3,4-DIYLBIS[(BENZYLIMINO)SULFONYL]}DIBENZAMIDEB2R380.72
G4G4,4'-{(3S,4S)-PYRROLIDINE-3,4-DIYLBIS[(BENZYLIMINO)SULFONYL]}DIBENZAMIDEA,B2PWR0.72
G4G4,4'-{(3S,4S)-PYRROLIDINE-3,4-DIYLBIS[(BENZYLIMINO)SULFONYL]}DIBENZAMIDEB2R3T0.72
3673-HYDROXYPROPYL 3-[({7-[AMINO(IMINO)METHYL]-
1-NAPHTHYL}AMINO)CARBONYL]BENZENESULFONATE		A1ZRK0.79
198R-BICALUTAMIDEA1Z950.7
LS1N-METHYL-4-{[(2-OXO-1,2-DIHYDRO-
3H-INDOL-3-YLIDENE)METHYL]AMINO}BENZENESULFONAMIDE		A1KE50.73
C4HN-[4-({[5-(DIMETHYLAMINO)-1-NAPHTHYL]SULFONYL}AMINO)BUTYL]-
3-SULFANYLPROPANAMIDE		A,B2DOO0.74
PMZ1-[10-(3-DIMETHYLAMINO-PROPYL)-
10H-PHENOTHIAZIN-2-YL]-ETHANONE		A1LVJ0.73
I84[2,6-DIMETHYL-4-(2-O-TOLYL-ACETYLAMINO)-
BENZENESULFONYL]-GLYCINE		A1EKO0.73
I84[2,6-DIMETHYL-4-(2-O-TOLYL-ACETYLAMINO)-
BENZENESULFONYL]-GLYCINE		A1EL30.73
DRX[(1S)-1-(5-CHLORO-1-BENZOTHIEN-
3-YL)-2-(2-NAPHTHYLAMINO)-2-OXOETHYL]PHOSPHONIC ACID		A2HVX0.7
N3C4-{4-[(4'-CHLOROBIPHENYL-2-YL)METHYL]PIPERAZIN-
1-YL}-N-{[4-({(1R)-3-(DIMETHYLAMINO)-
1-[(PHENYLTHIO)METHYL]PROPYL}AMINO)-
3-NITROPHENYL]SULFONYL}BENZAMIDE		A,B2YXJ0.71
C0MN-{3-CYANO-6-[3-(1-PIPERIDINYL)PROPANOYL]-
4,5,6,7-TETRAHYDROTHIENO[2,3-C]PYRIDIN-
2-YL}1-NAPHTHALENECARBOXAMIDE		A2O0U0.7
3036-[(Z)-AMINO(IMINO)METHYL]-N-(1-
ISOPROPYL-1,2,3,4-TETRAHYDROISOQUINOLIN-
7-YL)-2-NAPHTHAMIDE		A1OWK0.71
C44N-{(1S,2R)-1-benzyl-2-hydroxy-3-
[(1S)-1,2,3,4-tetrahydronaphthalen-
1-ylamino]propyl}-3-(1,1-dioxido-
1,2-thiazinan-2-yl)-5-(ethylamino)benzamide		A2VIJ0.74
TTT5-amino-2-methyl-N-[(1R)-1-naphthalen-
1-ylethyl]benzamide		A3E9S0.75
N3BN-[(4'-FLUORO-1,1'-BIPHENYL-4-YL)CARBONYL]-
3-NITRO-4-{[2-(PHENYLSULFANYL)ETHYL]AMINO}BENZENESULFONAMIDE		A1YSI0.76
LIW4-[4-(BIPHENYL-2-YLMETHYL)PIPERAZIN-
1-YL]-N-[(4-{[1,1-DIMETHYL-2-(PHENYLTHIO)ETHYL]AMINO}-
3-NITROPHENYL)SULFONYL]BENZAMIDE		A2O2N0.76
CBDCIBACRON BLUEA,B1QRD0.71
CBDCIBACRON BLUEA,B20GS0.71
INRA,C1E9H0.73
INRA1UZU0.73
INRA,B1V0O0.73
LS53-{[4-([AMINO(IMINO)METHYL]AMINOSULFONYL)ANILINO]METHYLENE}-
2-OXO-2,3-DIHYDRO-1H-INDOLE		A1KE90.71
4AN6-AMINO-BENZO[DE]ISOQUINOLINE-1,3-
DIONE		A2PAX0.74
LIUN-[(4-{[1,1-dimethyl-2-(phenylthio)ethyl]amino}-
3-nitrophenyl)sulfonyl]-4-(4,4-
dimethylpiperidin-1-yl)benzamide		A2O220.71
2396-[(Z)-AMINO(IMINO)METHYL]-N-[4-
(AMINOMETHYL)PHENYL]-2-NAPHTHAMIDE		A1OWH0.73
AZX4-[(3-CHLORO-4-{[(2R)-3,3,3-TRIFLUORO-
2-HYDROXY-2-METHYLPROPANOYL]AMINO}PHENYL)SULFONYL]-
N,N-DIMETHYLBENZAMIDE		A2Q8G0.72
IXSN-[(1S)-1-benzyl-2-{[(1S)-2-(isobutylamino)-
1-methyl-2-oxoethyl]amino}ethyl]-
N'-[(1R)-1-(4-fluorophenyl)ethyl]-
5-[methyl(methylsulfonyl)amino]isophthalamide		A2QZL0.72
AN91,5-BIS[3-(DIETHYLAMINO)PROPIONAMIDO]ANTHRACENE-
9,10-DIONE		A,B1XCU0.75