Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02457015

Ligand	Ligand name	Chain	PDB	Tanimoto
SHH	OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE	A	1C3S	0.92
SHH	OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE	A,B,C	3C0Z	0.92
SHH	OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE	A	1T69	0.92
SHH	OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE	A,B,C,D	1ZZ1	0.92
PDM	4-[4-(2,5-DIOXO-PYRROLIDIN-1-YL)-PHENYLAMINO]-4-HYDROXY-BUTYRIC ACID	A,B,C	1L2O	0.7
PDM	4-[4-(2,5-DIOXO-PYRROLIDIN-1-YL)-PHENYLAMINO]-4-HYDROXY-BUTYRIC ACID	A,C	1KWO	0.7
TTT	5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide	A	3E9S	0.71
3AB	3-aminobenzamide	A,B,C,D	3GOY	0.72
NOX	N-(PARA-GLUTARAMIDOPHENYL-ETHYL)-PIPERIDINIUM-N-OXIDE	L	35C8	0.72
BC1	3-{[(9-CYANO-9,10-DIHYDRO-10-METHYLACRIDIN-9-YL)CARBONYL]AMINO}PROPANOIC ACID	H,Y	1LO0	0.71
4PG	1-[4-(2-oxo-2-phenylethyl)phenyl]guanidine	U	2R2W	0.74
P34	N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE	A,B	3GEY	0.73
P34	N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE	A	3CE0	0.73
P34	N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE	A,B	1XK9	0.73
P34	N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE	A	2Q6M	0.73
P34	N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE	A,B,C,D,E,F	1ZM9	0.73
53U	D-phenylalanyl-N-benzyl-L-prolinamide	H,I	2ZFF	0.72
SN8	1,6-DIMETHYL-4-(4-(4-(1-METHYLPYRIDINIUM-4-YLAMINO)PHENYLCARBAMOYL)PHENYLAMINO)QUINOLINIUM	A,B	1ZPH	0.71
4AN	6-AMINO-BENZO[DE]ISOQUINOLINE-1,3-DIONE	A	2PAX	0.71
APB	M-AMINOPHENYLBORONIC ACID	A,B	3BLS	0.7
GW9	2-chloro-5-nitro-N-phenylbenzamide	A,D	3E00	0.72
1MR	N-METHYLANILINE	X	2OTZ	0.73
IS2	[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACID	A	1O4J	0.72
P1Z	4-BUTYL-1,2-DIPHENYL-PYRAZOLIDINE-3,5-DIONE	A,B	2W98	0.8
P1Z	4-BUTYL-1,2-DIPHENYL-PYRAZOLIDINE-3,5-DIONE	A,B	2BXC	0.8
P1Z	4-BUTYL-1,2-DIPHENYL-PYRAZOLIDINE-3,5-DIONE	A	2BXP	0.8
P1Z	4-BUTYL-1,2-DIPHENYL-PYRAZOLIDINE-3,5-DIONE	A	2BXQ	0.8
CF3	9,9,9-TRIFLUORO-8-OXO-N-PHENYLNONANAMIDE	A,B,C,D	2GH6	0.89
675	6-[(Z)-AMINO(IMINO)METHYL]-N-PHENYL-2-NAPHTHAMIDE	A	1OWE	0.73
566	(3S)-1-CYCLOHEXYL-5-OXO-N-PHENYLPYRROLIDINE-3-CARBOXAMIDE	A	2H7I	0.8
239	6-[(Z)-AMINO(IMINO)METHYL]-N-[4-(AMINOMETHYL)PHENYL]-2-NAPHTHAMIDE	A	1OWH	0.71
LS1	N-METHYL-4-{[(2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]AMINO}BENZENESULFONAMIDE	A	1KE5	0.71
AU4	4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)	A	2PYZ	0.72
BSU	1,3-DIPHENYLUREA	A	3E85	0.81
BSU	1,3-DIPHENYLUREA	A	2ZJF	0.81
C16	4-(4-methyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzonitrile	A	3BNZ	0.71
12B	BENZO[CD]INDOL-2(1H)-ONE	A,B	2F67	0.73
DSM	3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N-METHYLPROPAN-1-AMINE	A	2QJU	0.72
DSM	3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N-METHYLPROPAN-1-AMINE	A	2QB4	0.72
MC2	N2-(L-PHENYLALANYL)-N1-(NAPHTHALENYL)-L-ARIGNINAMIDE	A	1T9Y	0.72
T2D	1,2,5-THIADIAZOLIDIN-3-ONE-1,1-DIOXIDE	A	2BGE	0.75
FEX		A	1OSH	0.7
BOS	N-[4-(AMINOSULFONYL)PHENYL]-2-MERCAPTOBENZAMIDE	A	2HD6	0.75
ISN	ISATIN	A,B	1OJA	0.72
ISN	ISATIN	A,B	2BK5	0.72
IXM	(Z)-1H,1'H-[2,3']BIINDOLYLIDENE-3,2'-DIONE-3-OXIME	A,B	1Q41	0.75
IXM	(Z)-1H,1'H-[2,3']BIINDOLYLIDENE-3,2'-DIONE-3-OXIME	A,B	1UNH	0.75
IXM	(Z)-1H,1'H-[2,3']BIINDOLYLIDENE-3,2'-DIONE-3-OXIME	A	2QKR	0.75
GEP	N-METHYL-N-(PARA-GLUTARAMIDOPHENYL-ETHYL)-PIPERIDINIUM ION	L	25C8	0.74
BAN	HONH-BENZYLMALONYL-L-ALANYLGLYCINE-P-NITROANILIDE	A	5TLN	0.74
G1L	3-CHLORO-2,2-DIMETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE	A,B	2I80	0.73
666	6-(4-{[2-(3-IODOBENZYL)-3-OXOCYCLOHEX-1-EN-1-YL]AMINO}PHENYL)-5-METHYL-4,5-DIHYDROPYRIDAZIN-3(2H)-ONE	A,B,C,D	1SO2	0.71
EOB	{1,3-PHENYLENEBIS[IMINO(2-OXOETHANE-2,1-DIYL)]}BIS(PHOSPHONIC ACID)	A,B,C,D	2FZG	0.76
CIU	N-CYCLOHEXYL-N'-(4-IODOPHENYL)UREA	A,B	1EK1	0.75
CIU	N-CYCLOHEXYL-N'-(4-IODOPHENYL)UREA	A	1VJ5	0.75
AN9	1,5-BIS[3-(DIETHYLAMINO)PROPIONAMIDO]ANTHRACENE-9,10-DIONE	A,B	1XCU	0.72
264	(phenylamino)acetonitrile	A	2RBN	0.75
CBE	2-METHYL-N-PHENYL-5,6-DIHYDRO-1,4-OXATHIINE-3-CARBOXAMIDE	A,B,C,D,N,O,P,Q	2FBW	0.72
OCH	QUINOLIN-2(1H)-ONE	A,B,C,D,E,F	1Z03	0.75
NYL	N-ALLYL-ANILINE	A	1OVK	0.75
SPB	4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID	B,H	1UB5	0.79
SPB	4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID	A,B,H,L	3CFB	0.79
SPB	4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID	B,H	3CFD	0.79
SPB	4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID	A,L	1FL3	0.79
LGD	6-[BIS(2,2,2-TRIFLUOROETHYL)AMINO]-4-(TRIFLUOROMETHYL)QUINOLIN-2(1H)-ONE	A	2HVC	0.71
468	(3S)-N-(3-CHLORO-2-METHYLPHENYL)-1-CYCLOHEXYL-5-OXOPYRROLIDINE-3-CARBOXAMIDE	A	2H7P	0.71
URS	N-PHENYLTHIOUREA	A,B	1BUG	0.71
TSN	TRICHOSTATIN A	A,B	1T64	0.73
TSN	TRICHOSTATIN A	A,B	1C3R	0.73
TSN	TRICHOSTATIN A	A,B,C	3F0R	0.73
TSN	TRICHOSTATIN A	A,B,C	3C10	0.73
PHJ	N-[(AMINOOXY)CARBONYL]-N-PHENYLAMINE	A,B	1UR9	0.78
4ND	N4-(N,N-DIPHENYLCARBAMOYL)-AMINOGUANIDINE	H,I	1NO9	0.71
GA0	GLYCYLALANYL-N-2-NAPHTHYL-L-PROLINEAMIDE	A	2DCM	0.74
INH	N-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2-PHENYLETHYL)GLYCYL-L-ARGININE-N-PHENYLAMIDE	A	1SLN	0.72
INH	N-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2-PHENYLETHYL)GLYCYL-L-ARGININE-N-PHENYLAMIDE	A	2SRT	0.72
INH	N-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2-PHENYLETHYL)GLYCYL-L-ARGININE-N-PHENYLAMIDE	A	3BG8	0.72
UN6	(3-{[3-(3-SULFOAMINO-PHENYL)-PROPIONYLAMINO]-METHYL}-PHENYL)-SULFAMIC ACID	A	2F70	0.8
GIN	2-{[(6-OXO-1,6-DIHYDROPYRIDIN-3-YL)METHYL]AMINO}-N-[4-PROPYL-3-(TRIFLUOROMETHYL)PHENYL]BENZAMIDE	A,B	2HZ0	0.73
SU2	3-[4-(1-FORMYLPIPERAZIN-4-YL)-BENZYLIDENYL]-2-INDOLINONE	A,B	1AGW	0.76
CRI		A,B	1VKG	0.76
641	(3S)-1-CYCLOHEXYL-N-(3,5-DICHLOROPHENYL)-5-OXOPYRROLIDINE-3-CARBOXAMIDE	A	2H7M	0.72
GNR	2-(3,4-DIHYDRO-3-OXO-2H-BENZO[B][1,4]THIAZIN-2-YL)-N-HYDROXYACETAMIDE	A,B	1S17	0.71
665	(3S)-N-(3-BROMOPHENYL)-1-CYCLOHEXYL-5-OXOPYRROLIDINE-3-CARBOXAMIDE	A	2H7L	0.74
I84	[2,6-DIMETHYL-4-(2-O-TOLYL-ACETYLAMINO)-BENZENESULFONYL]-GLYCINE	A	1EKO	0.72
I84	[2,6-DIMETHYL-4-(2-O-TOLYL-ACETYLAMINO)-BENZENESULFONYL]-GLYCINE	A	1EL3	0.72
IAP	4-IODO-ACETAMIDO PHENYLBORONIC ACID	A	1S6R	0.83
IAP	4-IODO-ACETAMIDO PHENYLBORONIC ACID	A,B	1K6S	0.83
744	(3S)-N-(5-CHLORO-2-METHYLPHENYL)-1-CYCLOHEXYL-5-OXOPYRROLIDINE-3-CARBOXAMIDE	A	2H7N	0.71
BL5		A,B	1RL4	0.75
SH4	(1R)-1-PHENYLETHYL 4-(ACETYLAMINO)BENZYLPHOSPHONATE	H	1UM4	0.7
51U	D-phenylalanyl-N-(3-methylbenzyl)-L-prolinamide	H,I	2ZF0	0.7
FRP	N1-((2S,3S,5R)-3-AMINO-6-(4-FLUOROPHENYLAMINO)-5-METHYL-6-OXO-1-PHENYLHEXAN-2-YL)-N3,N3-DIPROPYLISOPHTHALAMIDE	A,B,C	2FDP	0.72
ASR	4-AMINOPHENYLARSONIC ACID	A	1N4F	0.7
G3E	3-hydroxyquinolin-2(1H)-one	A,B,C,D	3G3E	0.7
EBW	4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-2-ENYLBENZENAMINIUM	A	1E3Q	0.79
AFF	2-ACETYLAMINOFLUORENE-3-YL	A	2GE2	0.78
PL0	1-phenylguanidine	A	2O8W	0.7
37U	D-phenylalanyl-N-(3-fluorobenzyl)-L-prolinamide	H,I	2ZDV	0.7
TYX	S-(2-ANILINO-2-OXOETHYL)-L-CYSTEINE	A	2PQT	0.72
LO1	[[4-(AMINOMETHYL)PHENYL]AMINO]OXO-ACETIC ACID,	A	1WAX	0.72