MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02660292

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

Ligand	Ligand name	Chain	PDB	Tanimoto	Ligand in PDB
Ligand	Ligand name	Chain	PDB	Tanimoto	Ligand in PDB
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
4ND	N4-(N,N-DIPHENYLCARBAMOYL)-AMINOGUANIDINE	H,I	1NO9	0.72
HFT	HYDROXYFLUTAMIDE	A	2AX6	0.72
GEP	N-METHYL-N-(PARA-GLUTARAMIDOPHENYL- ETHYL)-PIPERIDINIUM ION	L	25C8	0.7
SHH	OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE	A	1C3S	0.84
SHH	OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE	A,B,C	3C0Z	0.84
SHH	OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE	A	1T69	0.84
SHH	OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE	A,B,C,D	1ZZ1	0.84
URS	N-PHENYLTHIOUREA	A,B	1BUG	0.77
NYL	N-ALLYL-ANILINE	A	1OVK	0.82
G30	(1S,2R)-2-[(2,5-difluorophenyl)carbamoyl]cyclopropanecarboxylic acid	A	3G30	0.7
BSU	1,3-DIPHENYLUREA	A	3E85	0.82
BSU	1,3-DIPHENYLUREA	A	2ZJF	0.82
665	(3S)-N-(3-BROMOPHENYL)-1-CYCLOHEXYL- 5-OXOPYRROLIDINE-3-CARBOXAMIDE	A	2H7L	0.71
PDM	4-[4-(2,5-DIOXO-PYRROLIDIN-1-YL)- PHENYLAMINO]-4-HYDROXY-BUTYRIC ACID	A,B,C	1L2O	0.72
PDM	4-[4-(2,5-DIOXO-PYRROLIDIN-1-YL)- PHENYLAMINO]-4-HYDROXY-BUTYRIC ACID	A,C	1KWO	0.72
CBE	2-METHYL-N-PHENYL-5,6-DIHYDRO-1,4- OXATHIINE-3-CARBOXAMIDE	A,B,C,D,N,O, P,Q	2FBW	0.76
PRY	2-PROPYL-ANILINE	A	1OWY	0.72
LO1	[[4-(AMINOMETHYL)PHENYL]AMINO]OXO- ACETIC ACID,	A	1WAX	0.76
PHJ	N-[(AMINOOXY)CARBONYL]-N-PHENYLAMINE	A,B	1UR9	0.83
GNR	2-(3,4-DIHYDRO-3-OXO-2H-BENZO[B][1,4]THIAZIN- 2-YL)-N-HYDROXYACETAMIDE	A,B	1S17	0.7
AFF	2-ACETYLAMINOFLUORENE-3-YL	A	2GE2	0.79
ANL	ANILINE	A	2OV4	0.74
ANL	ANILINE	A	1AEE	0.74
ANL	ANILINE	A	1PPA	0.74
ANL	ANILINE	A	1HJ9	0.74
LGD	6-[BIS(2,2,2-TRIFLUOROETHYL)AMINO]- 4-(TRIFLUOROMETHYL)QUINOLIN-2(1H)- ONE	A	2HVC	0.75
264	(phenylamino)acetonitrile	A	2RBN	0.81
APB	M-AMINOPHENYLBORONIC ACID	A,B	3BLS	0.74
12Q	1-METHYLQUINOLIN-2(1H)-ONE	A,B	2F64	0.74
EOB	{1,3-PHENYLENEBIS[IMINO(2-OXOETHANE- 2,1-DIYL)]}BIS(PHOSPHONIC ACID)	A,B,C,D	2FZG	0.81
PL0	1-phenylguanidine	A	2O8W	0.76
NP2	N-(3-AMINOPROPYL)-2-NITROBENZENAMINE	A	1WUM	0.72
OCH	QUINOLIN-2(1H)-ONE	A,B,C,D,E,F	1Z03	0.79
G1L	3-CHLORO-2,2-DIMETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE	A,B	2I80	0.79
HBQ	ISOPROPYL (2S)-2-ETHYL-7-FLUORO- 3-OXO-3,4-DIHYDROQUINOXALINE-1(2H)- CARBOXYLATE	A	2OPR	0.7
HBQ	ISOPROPYL (2S)-2-ETHYL-7-FLUORO- 3-OXO-3,4-DIHYDROQUINOXALINE-1(2H)- CARBOXYLATE	A,B	2OPS	0.7
HBQ	ISOPROPYL (2S)-2-ETHYL-7-FLUORO- 3-OXO-3,4-DIHYDROQUINOXALINE-1(2H)- CARBOXYLATE	A	2OPP	0.7
HBQ	ISOPROPYL (2S)-2-ETHYL-7-FLUORO- 3-OXO-3,4-DIHYDROQUINOXALINE-1(2H)- CARBOXYLATE	A	2OPQ	0.7
IS2	[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACID	A	1O4J	0.76
ASR	4-AMINOPHENYLARSONIC ACID	A	1N4F	0.74
PHZ	1-PHENYLHYDRAZINE	A	2E2T	0.71
PHZ	1-PHENYLHYDRAZINE	D,H	2AGL	0.71
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
ZMG	(5R)-2-[(2-fluorophenyl)amino]- 5-(1-methylethyl)-1,3-thiazol-4(5H)- one	A,B,C,D	2RBE	0.72
1AN	2-FLUOROANILINE	A	1LGW	0.71
TYX	S-(2-ANILINO-2-OXOETHYL)-L-CYSTEINE	A	2PQT	0.74
P1Z	4-BUTYL-1,2-DIPHENYL-PYRAZOLIDINE- 3,5-DIONE	A,B	2W98	0.75
P1Z	4-BUTYL-1,2-DIPHENYL-PYRAZOLIDINE- 3,5-DIONE	A,B	2BXC	0.75
P1Z	4-BUTYL-1,2-DIPHENYL-PYRAZOLIDINE- 3,5-DIONE	A	2BXP	0.75
P1Z	4-BUTYL-1,2-DIPHENYL-PYRAZOLIDINE- 3,5-DIONE	A	2BXQ	0.75
T2D	1,2,5-THIADIAZOLIDIN-3-ONE-1,1- DIOXIDE	A	2BGE	0.79
FOE	2-(2-AMINO-3-OXO-PROPYLSULFANYL)- N-(4-FLUORO-PHENYL)-N-ISOPROPYL- ACETAMIDE	B	1BX9	0.71
IAP	4-IODO-ACETAMIDO PHENYLBORONIC ACID	A	1S6R	0.88
IAP	4-IODO-ACETAMIDO PHENYLBORONIC ACID	A,B	1K6S	0.88
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	0.72
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	0.72
A26	2-CYANO-3-HYDROXY-N-(4-TRIFLUOROMETHYL- PHENYL)-BUTYRAMIDE	A	1TV5	0.71
A26	2-CYANO-3-HYDROXY-N-(4-TRIFLUOROMETHYL- PHENYL)-BUTYRAMIDE	A	1D3H	0.71
TYL	N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)	B,C,D	1TYM	0.73
TYL	N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)	B,C,D	1TYL	0.73
TYL	N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)	A	2OCU	0.73
TYL	N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)	A,B,C,D,F	3DJI	0.73
TYL	N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)	A	2DPZ	0.73
XYD	2,5-DIMETHYLANILINE	A,B,C,D	1KYA	0.71
XYD	2,5-DIMETHYLANILINE	A	1L4L	0.71
G3E	3-hydroxyquinolin-2(1H)-one	A,B,C,D	3G3E	0.72
171	2-PHENYLAMINO-ETHANESULFONIC ACID	A,B	1SXG	0.72
1MR	N-METHYLANILINE	X	2OTZ	0.81
566	(3S)-1-CYCLOHEXYL-5-OXO-N-PHENYLPYRROLIDINE- 3-CARBOXAMIDE	A	2H7I	0.78
CF3	9,9,9-TRIFLUORO-8-OXO-N-PHENYLNONANAMIDE	A,B,C,D	2GH6	0.81
DSM	3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N-METHYLPROPAN-1-AMINE	A	2QJU	0.71
DSM	3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N-METHYLPROPAN-1-AMINE	A	2QB4	0.71
AU4	4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)	A	2PYZ	0.71
IDM	INDOLINE	A,B	3CEP	0.72
IDM	INDOLINE	A	1AEK	0.72