Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00769469

Ligand	Ligand name	Chain	PDB	Tanimoto
3NT	3-NITROTOLUENE	A,B	2BMR	0.74
3NT	3-NITROTOLUENE	A,B	2HMO	0.74
AU4	4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)	A	2PYZ	0.74
NOX	N-(PARA-GLUTARAMIDOPHENYL-ETHYL)-PIPERIDINIUM-N-OXIDE	L	35C8	0.72
EBW	4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-2-ENYLBENZENAMINIUM	A	1E3Q	0.73
BOS	N-[4-(AMINOSULFONYL)PHENYL]-2-MERCAPTOBENZAMIDE	A	2HD6	0.7
12B	BENZO[CD]INDOL-2(1H)-ONE	A,B	2F67	0.72
GW9	2-chloro-5-nitro-N-phenylbenzamide	A,D	3E00	0.77
NPP	N-(2-AMINO-ETHYL)-4,6-DINITRO-N'-(2,2,6,6-TETRAMETHYL-1-OXY-PIPERIDIN-4-YL)-BENZENE-1,3-DIAMINE	L	1BAF	0.71
NP2	N-(3-AMINOPROPYL)-2-NITROBENZENAMINE	A	1WUM	0.74
PRY	2-PROPYL-ANILINE	A	1OWY	0.72
PNC	PARA-NITROBENZYL GLUTARYL GLYCINIC ACID	L	1YEF	0.74
A26	2-CYANO-3-HYDROXY-N-(4-TRIFLUOROMETHYL-PHENYL)-BUTYRAMIDE	A	1TV5	0.7
A26	2-CYANO-3-HYDROXY-N-(4-TRIFLUOROMETHYL-PHENYL)-BUTYRAMIDE	A	1D3H	0.7
UN6	(3-{[3-(3-SULFOAMINO-PHENYL)-PROPIONYLAMINO]-METHYL}-PHENYL)-SULFAMIC ACID	A	2F70	0.72
TK4	2-ACETYLAMINO-NAPTHALENE-1,5-DISULFONIC ACID	H,L	1C5C	0.72
SH4	(1R)-1-PHENYLETHYL 4-(ACETYLAMINO)BENZYLPHOSPHONATE	H	1UM4	0.71
IAP	4-IODO-ACETAMIDO PHENYLBORONIC ACID	A	1S6R	0.75
IAP	4-IODO-ACETAMIDO PHENYLBORONIC ACID	A,B	1K6S	0.75
ISO	PARA-ISOPROPYLANILINE	A	1BMA	0.72
ISO	PARA-ISOPROPYLANILINE	A,B	1ELC	0.72
ISO	PARA-ISOPROPYLANILINE	A,B	1ELB	0.72
ISO	PARA-ISOPROPYLANILINE	A,B	1ELA	0.72
SHH	OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE	A	1C3S	0.78
SHH	OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE	A,B,C	3C0Z	0.78
SHH	OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE	A	1T69	0.78
SHH	OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE	A,B,C,D	1ZZ1	0.78
LGD	6-[BIS(2,2,2-TRIFLUOROETHYL)AMINO]-4-(TRIFLUOROMETHYL)QUINOLIN-2(1H)-ONE	A	2HVC	0.74
SPB	4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID	B,H	1UB5	0.73
SPB	4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID	A,B,H,L	3CFB	0.73
SPB	4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID	B,H	3CFD	0.73
SPB	4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID	A,L	1FL3	0.73
PNZ	P-NITRO-BENZYLAMINE	A,D,H	2HJ4	0.75
PNZ	P-NITRO-BENZYLAMINE	A,B	2C70	0.75
4PG	1-[4-(2-oxo-2-phenylethyl)phenyl]guanidine	U	2R2W	0.7
G1L	3-CHLORO-2,2-DIMETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE	A,B	2I80	0.75
12Q	1-METHYLQUINOLIN-2(1H)-ONE	A,B	2F64	0.74
34A	3,4-DIMETHYLANILINE	A	1L4K	0.7
IXM	(Z)-1H,1'H-[2,3']BIINDOLYLIDENE-3,2'-DIONE-3-OXIME	A,B	1Q41	0.73
IXM	(Z)-1H,1'H-[2,3']BIINDOLYLIDENE-3,2'-DIONE-3-OXIME	A,B	1UNH	0.73
IXM	(Z)-1H,1'H-[2,3']BIINDOLYLIDENE-3,2'-DIONE-3-OXIME	A	2QKR	0.73
SU2	3-[4-(1-FORMYLPIPERAZIN-4-YL)-BENZYLIDENYL]-2-INDOLINONE	A,B	1AGW	0.72
3CZ	(2R)-1-[(4-tert-butylphenyl)sulfonyl]-2-methyl-4-(4-nitrophenyl)piperazine	A,B	3CZR	0.71
IXX	3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-N,N-DIMETHYLPROPAN-1-AMINE	A	2Q72	0.73
BSU	1,3-DIPHENYLUREA	A	3E85	0.73
BSU	1,3-DIPHENYLUREA	A	2ZJF	0.73
IS2	[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACID	A	1O4J	0.76
GIN	2-{[(6-OXO-1,6-DIHYDROPYRIDIN-3-YL)METHYL]AMINO}-N-[4-PROPYL-3-(TRIFLUOROMETHYL)PHENYL]BENZAMIDE	A,B	2HZ0	0.7
AFF	2-ACETYLAMINOFLUORENE-3-YL	A	2GE2	0.84
PHJ	N-[(AMINOOXY)CARBONYL]-N-PHENYLAMINE	A,B	1UR9	0.72
AEN	5-(1-SULFONAPHTHYL)-ACETYLAMINO-ETHYLAMINE	A	1RAR	0.71
AEN	5-(1-SULFONAPHTHYL)-ACETYLAMINO-ETHYLAMINE	A	1RAS	0.71
GEP	N-METHYL-N-(PARA-GLUTARAMIDOPHENYL-ETHYL)-PIPERIDINIUM ION	L	25C8	0.71
4AN	6-AMINO-BENZO[DE]ISOQUINOLINE-1,3-DIONE	A	2PAX	0.7
HYQ	REL-(3AR,4S,7R,7AS)-3A,4,7,7A-TETRAHYDRO-2-(4-NITRO-1-NAPHTHALENYL)-4,7-ETHANO-1H-ISOINDOLE-1,3(2H)-DIONE	A	1XNN	0.73
NIT	4-NITROANILINE	C,D	1RMH	0.7
NIT	4-NITROANILINE	A,B,D,F,G,H,I	2IXP	0.7
NIT	4-NITROANILINE	B	1VBS	0.7
NIT	4-NITROANILINE	C	1V9T	0.7
NIT	4-NITROANILINE	C,D	1VBT	0.7
NIT	4-NITROANILINE	B	1LOP	0.7
NIT	4-NITROANILINE	C,D	1ZKF	0.7
NIT	4-NITROANILINE	B	1PIP	0.7
G3E	3-hydroxyquinolin-2(1H)-one	A,B,C,D	3G3E	0.73
TNL	2,4,6-TRINITROTOLUENE	A	1GVR	0.72
HFT	HYDROXYFLUTAMIDE	A	2AX6	0.81
NR2	N-({[4-(AMINOSULFONYL)PHENYL]AMINO}CARBONYL)-4-METHYLBENZENESULFONAMIDE	A	1ZFK	0.72
LO1	[[4-(AMINOMETHYL)PHENYL]AMINO]OXO-ACETIC ACID,	A	1WAX	0.74
AN9	1,5-BIS[3-(DIETHYLAMINO)PROPIONAMIDO]ANTHRACENE-9,10-DIONE	A,B	1XCU	0.7
TSN	TRICHOSTATIN A	A,B	1T64	0.72
TSN	TRICHOSTATIN A	A,B	1C3R	0.72
TSN	TRICHOSTATIN A	A,B,C	3F0R	0.72
TSN	TRICHOSTATIN A	A,B,C	3C10	0.72
P34	N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE	A,B	3GEY	0.71
P34	N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE	A	3CE0	0.71
P34	N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE	A,B	1XK9	0.71
P34	N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE	A	2Q6M	0.71
P34	N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE	A,B,C,D,E,F	1ZM9	0.71
CRI		A,B	1VKG	0.76
BAN	HONH-BENZYLMALONYL-L-ALANYLGLYCINE-P-NITROANILIDE	A	5TLN	0.8
NP1	N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINE	A	1WUG	0.79
OCH	QUINOLIN-2(1H)-ONE	A,B,C,D,E,F	1Z03	0.78
566	(3S)-1-CYCLOHEXYL-5-OXO-N-PHENYLPYRROLIDINE-3-CARBOXAMIDE	A	2H7I	0.7
C4H	N-[4-({[5-(DIMETHYLAMINO)-1-NAPHTHYL]SULFONYL}AMINO)BUTYL]-3-SULFANYLPROPANAMIDE	A,B	2DOO	0.7
BHM	(R)-3-BROMO-2-HYDROXY-2-METHYL-N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE	A	2AX9	0.78
DSM	3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N-METHYLPROPAN-1-AMINE	A	2QJU	0.76
DSM	3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N-METHYLPROPAN-1-AMINE	A	2QB4	0.76
GA0	GLYCYLALANYL-N-2-NAPHTHYL-L-PROLINEAMIDE	A	2DCM	0.72
HNT	[(3R)-7-NITRO-1,2,3,4-TETRAHYDROISOQUINOLIN-3-YL]METHANOL	A,B	2G70	0.7
CF3	9,9,9-TRIFLUORO-8-OXO-N-PHENYLNONANAMIDE	A,B,C,D	2GH6	0.71
IDM	INDOLINE	A,B	3CEP	0.72
IDM	INDOLINE	A	1AEK	0.72
P1Z	4-BUTYL-1,2-DIPHENYL-PYRAZOLIDINE-3,5-DIONE	A,B	2W98	0.7
P1Z	4-BUTYL-1,2-DIPHENYL-PYRAZOLIDINE-3,5-DIONE	A,B	2BXC	0.7
P1Z	4-BUTYL-1,2-DIPHENYL-PYRAZOLIDINE-3,5-DIONE	A	2BXP	0.7
P1Z	4-BUTYL-1,2-DIPHENYL-PYRAZOLIDINE-3,5-DIONE	A	2BXQ	0.7
TNS		A,B,L	2G2R	0.74