Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00019455

Ligand	Ligand name	Chain	PDB	Tanimoto
TYL	N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)	B,C,D	1TYM	0.76
TYL	N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)	B,C,D	1TYL	0.76
TYL	N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)	A	2OCU	0.76
TYL	N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)	A,B,C,D,F	3DJI	0.76
TYL	N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)	A	2DPZ	0.76
FOE	2-(2-AMINO-3-OXO-PROPYLSULFANYL)-N-(4-FLUORO-PHENYL)-N-ISOPROPYL-ACETAMIDE	B	1BX9	0.72
CIU	N-CYCLOHEXYL-N'-(4-IODOPHENYL)UREA	A,B	1EK1	0.77
CIU	N-CYCLOHEXYL-N'-(4-IODOPHENYL)UREA	A	1VJ5	0.77
SPB	4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID	B,H	1UB5	0.72
SPB	4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID	A,B,H,L	3CFB	0.72
SPB	4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID	B,H	3CFD	0.72
SPB	4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID	A,L	1FL3	0.72
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
NP2	N-(3-AMINOPROPYL)-2-NITROBENZENAMINE	A	1WUM	0.75
G30	(1S,2R)-2-[(2,5-difluorophenyl)carbamoyl]cyclopropanecarboxylic acid	A	3G30	0.72
IS2	[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACID	A	1O4J	0.78
GNR	2-(3,4-DIHYDRO-3-OXO-2H-BENZO[B][1,4]THIAZIN-2-YL)-N-HYDROXYACETAMIDE	A,B	1S17	0.73
PHZ	1-PHENYLHYDRAZINE	A	2E2T	0.72
PHZ	1-PHENYLHYDRAZINE	D,H	2AGL	0.72
CBE	2-METHYL-N-PHENYL-5,6-DIHYDRO-1,4-OXATHIINE-3-CARBOXAMIDE	A,B,C,D,N,O,P,Q	2FBW	0.79
GEP	N-METHYL-N-(PARA-GLUTARAMIDOPHENYL-ETHYL)-PIPERIDINIUM ION	L	25C8	0.7
A26	2-CYANO-3-HYDROXY-N-(4-TRIFLUOROMETHYL-PHENYL)-BUTYRAMIDE	A	1TV5	0.73
A26	2-CYANO-3-HYDROXY-N-(4-TRIFLUOROMETHYL-PHENYL)-BUTYRAMIDE	A	1D3H	0.73
G1L	3-CHLORO-2,2-DIMETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE	A,B	2I80	0.78
APB	M-AMINOPHENYLBORONIC ACID	A,B	3BLS	0.78
N4E	N-(4-ethoxyphenyl)acetamide	A,B,C,D	3EBS	0.71
264	(phenylamino)acetonitrile	A	2RBN	0.83
PHJ	N-[(AMINOOXY)CARBONYL]-N-PHENYLAMINE	A,B	1UR9	0.87
665	(3S)-N-(3-BROMOPHENYL)-1-CYCLOHEXYL-5-OXOPYRROLIDINE-3-CARBOXAMIDE	A	2H7L	0.71
PRY	2-PROPYL-ANILINE	A	1OWY	0.72
NYL	N-ALLYL-ANILINE	A	1OVK	0.83
IDM	INDOLINE	A,B	3CEP	0.71
IDM	INDOLINE	A	1AEK	0.71
IAP	4-IODO-ACETAMIDO PHENYLBORONIC ACID	A	1S6R	0.92
IAP	4-IODO-ACETAMIDO PHENYLBORONIC ACID	A,B	1K6S	0.92
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
AAS	3-ACTOXYMERCURI-4-AMINOBENZENESULFONAMIDE	A	1CZM	0.71
4ND	N4-(N,N-DIPHENYLCARBAMOYL)-AMINOGUANIDINE	H,I	1NO9	0.73
LGD	6-[BIS(2,2,2-TRIFLUOROETHYL)AMINO]-4-(TRIFLUOROMETHYL)QUINOLIN-2(1H)-ONE	A	2HVC	0.74
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
12Q	1-METHYLQUINOLIN-2(1H)-ONE	A,B	2F64	0.74
427	(R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2-DIOXABOROLAN-2-YL)PHENYL)GUANIDINE	A	1ZMN	0.72
HFT	HYDROXYFLUTAMIDE	A	2AX6	0.73
1AN	2-FLUOROANILINE	A	1LGW	0.73
OCH	QUINOLIN-2(1H)-ONE	A,B,C,D,E,F	1Z03	0.79
URS	N-PHENYLTHIOUREA	A,B	1BUG	0.79
2T3	(2R,3R)-4-ANILINO-2,3-DIHYDROXY-4-OXOBUTANOIC ACID	A	2P36	0.72
P1Z	4-BUTYL-1,2-DIPHENYL-PYRAZOLIDINE-3,5-DIONE	A,B	2W98	0.74
P1Z	4-BUTYL-1,2-DIPHENYL-PYRAZOLIDINE-3,5-DIONE	A,B	2BXC	0.74
P1Z	4-BUTYL-1,2-DIPHENYL-PYRAZOLIDINE-3,5-DIONE	A	2BXP	0.74
P1Z	4-BUTYL-1,2-DIPHENYL-PYRAZOLIDINE-3,5-DIONE	A	2BXQ	0.74
EOB	{1,3-PHENYLENEBIS[IMINO(2-OXOETHANE-2,1-DIYL)]}BIS(PHOSPHONIC ACID)	A,B,C,D	2FZG	0.84
NBE	NITROSOBENZENE	A	1LH7	0.7
NBE	NITROSOBENZENE	A	2LH7	0.7
NBE	NITROSOBENZENE	A	2NSS	0.7
1MR	N-METHYLANILINE	X	2OTZ	0.83
CF3	9,9,9-TRIFLUORO-8-OXO-N-PHENYLNONANAMIDE	A,B,C,D	2GH6	0.83
ZLD	N-{[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl}acetamide	0,1,2,4,9,A,B,C,F,H,I,J,K,L,M,N,P,Q,R,S,T,X,Y,Z	3CPW	0.73
ZLD	N-{[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl}acetamide	4,M,X,Y,Z	3DLL	0.73
ZMG	(5R)-2-[(2-fluorophenyl)amino]-5-(1-methylethyl)-1,3-thiazol-4(5H)-one	A,B,C,D	2RBE	0.72
171	2-PHENYLAMINO-ETHANESULFONIC ACID	A,B	1SXG	0.75
BSU	1,3-DIPHENYLUREA	A	3E85	0.84
BSU	1,3-DIPHENYLUREA	A	2ZJF	0.84
ANL	ANILINE	A	2OV4	0.76
ANL	ANILINE	A	1AEE	0.76
ANL	ANILINE	A	1PPA	0.76
ANL	ANILINE	A	1HJ9	0.76
G3E	3-hydroxyquinolin-2(1H)-one	A,B,C,D	3G3E	0.73
XYD	2,5-DIMETHYLANILINE	A,B,C,D	1KYA	0.71
XYD	2,5-DIMETHYLANILINE	A	1L4L	0.71
5AN	3,5-DIFLUOROANILINE	A	1LGX	0.71
566	(3S)-1-CYCLOHEXYL-5-OXO-N-PHENYLPYRROLIDINE-3-CARBOXAMIDE	A	2H7I	0.78
ASR	4-AMINOPHENYLARSONIC ACID	A	1N4F	0.78
AFF	2-ACETYLAMINOFLUORENE-3-YL	A	2GE2	0.78
PL0	1-phenylguanidine	A	2O8W	0.78
TYX	S-(2-ANILINO-2-OXOETHYL)-L-CYSTEINE	A	2PQT	0.77
T2D	1,2,5-THIADIAZOLIDIN-3-ONE-1,1-DIOXIDE	A	2BGE	0.83
NIT	4-NITROANILINE	C,D	1RMH	0.73
NIT	4-NITROANILINE	A,B,D,F,G,H,I	2IXP	0.73
NIT	4-NITROANILINE	B	1VBS	0.73
NIT	4-NITROANILINE	C	1V9T	0.73
NIT	4-NITROANILINE	C,D	1VBT	0.73
NIT	4-NITROANILINE	B	1LOP	0.73
NIT	4-NITROANILINE	C,D	1ZKF	0.73
NIT	4-NITROANILINE	B	1PIP	0.73
LO1	[[4-(AMINOMETHYL)PHENYL]AMINO]OXO-ACETIC ACID,	A	1WAX	0.77