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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00503242

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
7613-(OXALYL-AMINO)-NAPHTHALENE-2-
CARBOXYLIC ACID
A1C840.73
9AP9-AMINOPHENANTHRENEA1EGY0.72
NII2,7-bis[3-(dimethylamino)propyl]-
4,9-bis[(3-hydroxypropyl)amino]benzo[lmn][3,8]phenanthroline-
1,3,6,8(2H,7H)-tetrone
A,B3CDM0.7
NII2,7-bis[3-(dimethylamino)propyl]-
4,9-bis[(3-hydroxypropyl)amino]benzo[lmn][3,8]phenanthroline-
1,3,6,8(2H,7H)-tetrone
A3CCO0.7
575(4Z)-6-bromo-4-({[4-(pyrrolidin-
1-ylmethyl)phenyl]amino}methylidene)isoquinoline-
1,3(2H,4H)-dione
A,B,C,D2ZM30.71
IXM(Z)-1H,1'H-[2,3']BIINDOLYLIDENE-
3,2'-DIONE-3-OXIME
A,B1Q410.72
IXM(Z)-1H,1'H-[2,3']BIINDOLYLIDENE-
3,2'-DIONE-3-OXIME
A,B1UNH0.72
IXM(Z)-1H,1'H-[2,3']BIINDOLYLIDENE-
3,2'-DIONE-3-OXIME
A2QKR0.72
SU23-[4-(1-FORMYLPIPERAZIN-4-YL)-BENZYLIDENYL]-
2-INDOLINONE
A,B1AGW0.73
4PG1-[4-(2-oxo-2-phenylethyl)phenyl]guanidineU2R2W0.74
MC2N2-(L-PHENYLALANYL)-N1-(NAPHTHALENYL)-
L-ARIGNINAMIDE
A1T9Y0.74
MRA2-[(4-ETHYNYL-2-FLUOROPHENYL)AMINO]-
3,4-DIFLUORO-N-(2-HYDROXYETHOXY)BENZAMIDE
A2P550.72
AN91,5-BIS[3-(DIETHYLAMINO)PROPIONAMIDO]ANTHRACENE-
9,10-DIONE
A,B1XCU0.79
ISNISATINA,B1OJA0.74
ISNISATINA,B2BK50.74
6756-[(Z)-AMINO(IMINO)METHYL]-N-PHENYL-
2-NAPHTHAMIDE
A1OWE0.85
ANCANTHRACEN-1-YLAMINEA,B1GT10.72
ANCANTHRACEN-1-YLAMINEA,B1HN20.72
BOSN-[4-(AMINOSULFONYL)PHENYL]-2-MERCAPTOBENZAMIDEA2HD60.72
3036-[(Z)-AMINO(IMINO)METHYL]-N-(1-
ISOPROPYL-1,2,3,4-TETRAHYDROISOQUINOLIN-
7-YL)-2-NAPHTHAMIDE
A1OWK0.78
AFF2-ACETYLAMINOFLUORENE-3-YLA2GE20.8
6054'-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]biphenyl-
3-carboxamide
A,B3D4L0.72
BRYA2BHE0.7
4AN6-AMINO-BENZO[DE]ISOQUINOLINE-1,3-
DIONE
A2PAX0.83
2396-[(Z)-AMINO(IMINO)METHYL]-N-[4-
(AMINOMETHYL)PHENYL]-2-NAPHTHAMIDE
A1OWH0.82
738N-(3-cyano-4,5,6,7-tetrahydro-1-
benzothien-2-yl)-2-fluorobenzamide
A2O2U0.7
9613-FLUORO-4-[2-HYDROXY-2-(5,5,8,8-
TETRAMETHYL-5,6,7,8,-TETRAHYDRO-
NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID
A4LBD0.7
9613-FLUORO-4-[2-HYDROXY-2-(5,5,8,8-
TETRAMETHYL-5,6,7,8,-TETRAHYDRO-
NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID
A1EXX0.7
C164-(4-methyl-1,3-dioxo-1,3-dihydro-
2H-isoindol-2-yl)benzonitrile
A3BNZ0.76
FRQ5-FLUORO-1-[4-(4-PHENYL-3,6-DIHYDROPYRIDIN-
1(2H)-YL)BUTYL]QUINAZOLINE-2,4(1H,3H)-
DIONE
A,B1UK10.72
7942-[(CARBOXYCARBONYL)(1-NAPHTHYL)AMINO]BENZOIC ACIDA1NO60.71
HYQREL-(3AR,4S,7R,7AS)-3A,4,7,7A-TETRAHYDRO-
2-(4-NITRO-1-NAPHTHALENYL)-4,7-
ETHANO-1H-ISOINDOLE-1,3(2H)-DIONE
A1XNN0.71
3673-HYDROXYPROPYL 3-[({7-[AMINO(IMINO)METHYL]-
1-NAPHTHYL}AMINO)CARBONYL]BENZENESULFONATE
A1ZRK0.73
TSNTRICHOSTATIN AA,B1T640.71
TSNTRICHOSTATIN AA,B1C3R0.71
TSNTRICHOSTATIN AA,B,C3F0R0.71
TSNTRICHOSTATIN AA,B,C3C100.71
P34N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-
5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE
A,B3GEY0.77
P34N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-
5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE
A3CE00.77
P34N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-
5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE
A,B1XK90.77
P34N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-
5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE
A2Q6M0.77
P34N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-
5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE
A,B,C,D,E,F1ZM90.77
VG6N-[(1S,2R)-1-benzyl-2-hydroxy-3-
{[3-(trifluoromethyl)benzyl]amino}propyl]-
3-(ethylamino)-5-(2-oxopyrrolidin-
1-yl)benzamide
A2VJ70.7
F133-fluoro-N-[3-(1H-tetrazol-5-yl)phenyl]benzamideA,B3G350.71
XXZ1-[4-(AMINOMETHYL)BENZOYL]-5'-FLUORO-
1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLIN]-
4'-AMINE
A,B3E650.71
12BBENZO[CD]INDOL-2(1H)-ONEA,B2F670.88
GIN2-{[(6-OXO-1,6-DIHYDROPYRIDIN-3-
YL)METHYL]AMINO}-N-[4-PROPYL-3-
(TRIFLUOROMETHYL)PHENYL]BENZAMIDE
A,B2HZ00.78
A80N-(5,5,8,8-TETRAMETHYL-5,8-DIHYDRO-
NAPHTHALEN-2-YL)-TEREPHTHALAMIC ACID
A2CBR0.73
GA0GLYCYLALANYL-N-2-NAPHTHYL-L-PROLINEAMIDEA2DCM0.73
LGD6-[BIS(2,2,2-TRIFLUOROETHYL)AMINO]-
4-(TRIFLUOROMETHYL)QUINOLIN-2(1H)-
ONE
A2HVC0.71
1556-[(Z)-AMINO(IMINO)METHYL]-N-(1-
ISOPROPYL-3,4-DIHYDROISOQUINOLIN-
7-YL)-2-NAPHTHAMIDE
A1OWJ0.78
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
A2QZL0.74
3AB3-aminobenzamideA,B,C,D3GOY0.71
25D2-cyclohexyl-N-[(3-{[(2,4,6-trimethylphenyl)carbamoyl]amino}naphthalen-
2-yl)carbonyl]-D-alanine
A,B3DD10.74
3581-(2,6-DICHLOROPHENYL)-5-(2,4-DIFLUOROPHENYL)-
7-PIPERIDIN-4-YL-3,4-DIHYDROQUINOLIN-
2(1H)-ONE
A1OVE0.7
TTT5-amino-2-methyl-N-[(1R)-1-naphthalen-
1-ylethyl]benzamide
A3E9S0.85
4976-[AMINO(IMINO)METHYL]-N-[(4R)-
4-ETHYL-1,2,3,4-TETRAHYDROISOQUINOLIN-
6-YL]-2-NAPHTHAMIDE
A1OWD0.79
394R-3-FLUORO-4-[2-HYDROXY-2-(5,5,8,8-
TETRAMETHYL-5,6,7,8,-TETRAHYDRO-
NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID
A1EXA0.7
FRPN1-((2S,3S,5R)-3-AMINO-6-(4-FLUOROPHENYLAMINO)-
5-METHYL-6-OXO-1-PHENYLHEXAN-2-
YL)-N3,N3-DIPROPYLISOPHTHALAMIDE
A,B,C2FDP0.77
OCHQUINOLIN-2(1H)-ONEA,B,C,D,E,F1Z030.72
CRIA,B1VKG0.79
9892-{[4-(2-ACETYLAMINO-2-PENTYLCARBAMOYL-
ETHYL)-NAPHTHALEN-1-YL]-OXALYL-
AMINO}-BENZOIC ACID
A1NL90.7