Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00583768

Ligand	Ligand name	Chain	PDB	Tanimoto
TYL	N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)	B,C,D	1TYM	0.71
TYL	N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)	B,C,D	1TYL	0.71
TYL	N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)	A	2OCU	0.71
TYL	N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)	A,B,C,D,F	3DJI	0.71
TYL	N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)	A	2DPZ	0.71
CF3	9,9,9-TRIFLUORO-8-OXO-N-PHENYLNONANAMIDE	A,B,C,D	2GH6	0.84
P1Z	4-BUTYL-1,2-DIPHENYL-PYRAZOLIDINE-3,5-DIONE	A,B	2W98	0.82
P1Z	4-BUTYL-1,2-DIPHENYL-PYRAZOLIDINE-3,5-DIONE	A,B	2BXC	0.82
P1Z	4-BUTYL-1,2-DIPHENYL-PYRAZOLIDINE-3,5-DIONE	A	2BXP	0.82
P1Z	4-BUTYL-1,2-DIPHENYL-PYRAZOLIDINE-3,5-DIONE	A	2BXQ	0.82
SPB	4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID	B,H	1UB5	0.77
SPB	4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID	A,B,H,L	3CFB	0.77
SPB	4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID	B,H	3CFD	0.77
SPB	4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID	A,L	1FL3	0.77
HBQ	ISOPROPYL (2S)-2-ETHYL-7-FLUORO-3-OXO-3,4-DIHYDROQUINOXALINE-1(2H)-CARBOXYLATE	A	2OPR	0.71
HBQ	ISOPROPYL (2S)-2-ETHYL-7-FLUORO-3-OXO-3,4-DIHYDROQUINOXALINE-1(2H)-CARBOXYLATE	A,B	2OPS	0.71
HBQ	ISOPROPYL (2S)-2-ETHYL-7-FLUORO-3-OXO-3,4-DIHYDROQUINOXALINE-1(2H)-CARBOXYLATE	A	2OPP	0.71
HBQ	ISOPROPYL (2S)-2-ETHYL-7-FLUORO-3-OXO-3,4-DIHYDROQUINOXALINE-1(2H)-CARBOXYLATE	A	2OPQ	0.71
B3N	4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE	A,B	3F06	0.71
B3N	4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE	A,B	3EZP	0.71
B3N	4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE	A	3EW8	0.71
B3N	4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE	A,B	3EZT	0.71
B3N	4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE	A	1T67	0.71
NOX	N-(PARA-GLUTARAMIDOPHENYL-ETHYL)-PIPERIDINIUM-N-OXIDE	L	35C8	0.72
UN6	(3-{[3-(3-SULFOAMINO-PHENYL)-PROPIONYLAMINO]-METHYL}-PHENYL)-SULFAMIC ACID	A	2F70	0.74
566	(3S)-1-CYCLOHEXYL-5-OXO-N-PHENYLPYRROLIDINE-3-CARBOXAMIDE	A	2H7I	0.82
APB	M-AMINOPHENYLBORONIC ACID	A,B	3BLS	0.72
BL5		A,B	1RL4	0.76
744	(3S)-N-(5-CHLORO-2-METHYLPHENYL)-1-CYCLOHEXYL-5-OXOPYRROLIDINE-3-CARBOXAMIDE	A	2H7N	0.73
SN8	1,6-DIMETHYL-4-(4-(4-(1-METHYLPYRIDINIUM-4-YLAMINO)PHENYLCARBAMOYL)PHENYLAMINO)QUINOLINIUM	A,B	1ZPH	0.71
BAN	HONH-BENZYLMALONYL-L-ALANYLGLYCINE-P-NITROANILIDE	A	5TLN	0.72
T2D	1,2,5-THIADIAZOLIDIN-3-ONE-1,1-DIOXIDE	A	2BGE	0.77
BOS	N-[4-(AMINOSULFONYL)PHENYL]-2-MERCAPTOBENZAMIDE	A	2HD6	0.72
IS2	[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACID	A	1O4J	0.77
FOE	2-(2-AMINO-3-OXO-PROPYLSULFANYL)-N-(4-FLUORO-PHENYL)-N-ISOPROPYL-ACETAMIDE	B	1BX9	0.7
PNC	PARA-NITROBENZYL GLUTARYL GLYCINIC ACID	L	1YEF	0.7
EBW	4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-2-ENYLBENZENAMINIUM	A	1E3Q	0.74
12Q	1-METHYLQUINOLIN-2(1H)-ONE	A,B	2F64	0.73
MLN	(S)-2-(PHOSPHONOXY)CAPROYL-L-LEUCYL-P-NITROANILIDE	A	1BSK	0.7
MLN	(S)-2-(PHOSPHONOXY)CAPROYL-L-LEUCYL-P-NITROANILIDE	A	1BSJ	0.7
IDM	INDOLINE	A,B	3CEP	0.71
IDM	INDOLINE	A	1AEK	0.71
P34	N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE	A,B	3GEY	0.7
P34	N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE	A	3CE0	0.7
P34	N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE	A,B	1XK9	0.7
P34	N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE	A	2Q6M	0.7
P34	N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE	A,B,C,D,E,F	1ZM9	0.7
LO1	[[4-(AMINOMETHYL)PHENYL]AMINO]OXO-ACETIC ACID,	A	1WAX	0.76
264	(phenylamino)acetonitrile	A	2RBN	0.76
HFT	HYDROXYFLUTAMIDE	A	2AX6	0.74
PDM	4-[4-(2,5-DIOXO-PYRROLIDIN-1-YL)-PHENYLAMINO]-4-HYDROXY-BUTYRIC ACID	A,B,C	1L2O	0.73
PDM	4-[4-(2,5-DIOXO-PYRROLIDIN-1-YL)-PHENYLAMINO]-4-HYDROXY-BUTYRIC ACID	A,C	1KWO	0.73
GEP	N-METHYL-N-(PARA-GLUTARAMIDOPHENYL-ETHYL)-PIPERIDINIUM ION	L	25C8	0.75
XYD	2,5-DIMETHYLANILINE	A,B,C,D	1KYA	0.7
XYD	2,5-DIMETHYLANILINE	A	1L4L	0.7
ISN	ISATIN	A,B	1OJA	0.72
ISN	ISATIN	A,B	2BK5	0.72
G30	(1S,2R)-2-[(2,5-difluorophenyl)carbamoyl]cyclopropanecarboxylic acid	A	3G30	0.75
3AB	3-aminobenzamide	A,B,C,D	3GOY	0.73
LGD	6-[BIS(2,2,2-TRIFLUOROETHYL)AMINO]-4-(TRIFLUOROMETHYL)QUINOLIN-2(1H)-ONE	A	2HVC	0.74
CIU	N-CYCLOHEXYL-N'-(4-IODOPHENYL)UREA	A,B	1EK1	0.73
CIU	N-CYCLOHEXYL-N'-(4-IODOPHENYL)UREA	A	1VJ5	0.73
SHH	OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE	A	1C3S	0.86
SHH	OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE	A,B,C	3C0Z	0.86
SHH	OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE	A	1T69	0.86
SHH	OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE	A,B,C,D	1ZZ1	0.86
468	(3S)-N-(3-CHLORO-2-METHYLPHENYL)-1-CYCLOHEXYL-5-OXOPYRROLIDINE-3-CARBOXAMIDE	A	2H7P	0.73
IAP	4-IODO-ACETAMIDO PHENYLBORONIC ACID	A	1S6R	0.85
IAP	4-IODO-ACETAMIDO PHENYLBORONIC ACID	A,B	1K6S	0.85
BHM	(R)-3-BROMO-2-HYDROXY-2-METHYL-N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE	A	2AX9	0.71
URS	N-PHENYLTHIOUREA	A,B	1BUG	0.73
DSM	3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N-METHYLPROPAN-1-AMINE	A	2QJU	0.7
DSM	3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N-METHYLPROPAN-1-AMINE	A	2QB4	0.7
AU4	4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)	A	2PYZ	0.7
PHJ	N-[(AMINOOXY)CARBONYL]-N-PHENYLAMINE	A,B	1UR9	0.8
PRY	2-PROPYL-ANILINE	A	1OWY	0.71
G1L	3-CHLORO-2,2-DIMETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE	A,B	2I80	0.79
TSN	TRICHOSTATIN A	A,B	1T64	0.74
TSN	TRICHOSTATIN A	A,B	1C3R	0.74
TSN	TRICHOSTATIN A	A,B,C	3F0R	0.74
TSN	TRICHOSTATIN A	A,B,C	3C10	0.74
TYX	S-(2-ANILINO-2-OXOETHYL)-L-CYSTEINE	A	2PQT	0.73
641	(3S)-1-CYCLOHEXYL-N-(3,5-DICHLOROPHENYL)-5-OXOPYRROLIDINE-3-CARBOXAMIDE	A	2H7M	0.73
G3E	3-hydroxyquinolin-2(1H)-one	A,B,C,D	3G3E	0.73
221	(2R,3R)-3-{[3,5-BIS(TRIFLUOROMETHYL)PHENYL]AMINO}-2-CYANO-3-THIOXOPROPANAMIDE	A,B	2IJN	0.71
SU2	3-[4-(1-FORMYLPIPERAZIN-4-YL)-BENZYLIDENYL]-2-INDOLINONE	A,B	1AGW	0.71
W22	[(2S)-4-methyl-3-oxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-yl]acetic acid	A,B	2WKW	0.7
CBE	2-METHYL-N-PHENYL-5,6-DIHYDRO-1,4-OXATHIINE-3-CARBOXAMIDE	A,B,C,D,N,O,P,Q	2FBW	0.74
GNR	2-(3,4-DIHYDRO-3-OXO-2H-BENZO[B][1,4]THIAZIN-2-YL)-N-HYDROXYACETAMIDE	A,B	1S17	0.71
A26	2-CYANO-3-HYDROXY-N-(4-TRIFLUOROMETHYL-PHENYL)-BUTYRAMIDE	A	1TV5	0.76
A26	2-CYANO-3-HYDROXY-N-(4-TRIFLUOROMETHYL-PHENYL)-BUTYRAMIDE	A	1D3H	0.76
CRI		A,B	1VKG	0.71
AFF	2-ACETYLAMINOFLUORENE-3-YL	A	2GE2	0.77
PL0	1-phenylguanidine	A	2O8W	0.72
ASR	4-AMINOPHENYLARSONIC ACID	A	1N4F	0.72
ISO	PARA-ISOPROPYLANILINE	A	1BMA	0.71
ISO	PARA-ISOPROPYLANILINE	A,B	1ELC	0.71
ISO	PARA-ISOPROPYLANILINE	A,B	1ELB	0.71
ISO	PARA-ISOPROPYLANILINE	A,B	1ELA	0.71
OCH	QUINOLIN-2(1H)-ONE	A,B,C,D,E,F	1Z03	0.78
NYL	N-ALLYL-ANILINE	A	1OVK	0.77
171	2-PHENYLAMINO-ETHANESULFONIC ACID	A,B	1SXG	0.7
ZMG	(5R)-2-[(2-fluorophenyl)amino]-5-(1-methylethyl)-1,3-thiazol-4(5H)-one	A,B,C,D	2RBE	0.74
BSU	1,3-DIPHENYLUREA	A	3E85	0.77
BSU	1,3-DIPHENYLUREA	A	2ZJF	0.77
EOB	{1,3-PHENYLENEBIS[IMINO(2-OXOETHANE-2,1-DIYL)]}BIS(PHOSPHONIC ACID)	A,B,C,D	2FZG	0.78
GA0	GLYCYLALANYL-N-2-NAPHTHYL-L-PROLINEAMIDE	A	2DCM	0.72
1MR	N-METHYLANILINE	X	2OTZ	0.76
665	(3S)-N-(3-BROMOPHENYL)-1-CYCLOHEXYL-5-OXOPYRROLIDINE-3-CARBOXAMIDE	A	2H7L	0.75