MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03095560

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
FOE	2-(2-AMINO-3-OXO-PROPYLSULFANYL)- N-(4-FLUORO-PHENYL)-N-ISOPROPYL- ACETAMIDE	B	1BX9	0.72
BSU	1,3-DIPHENYLUREA	A	3E85	0.8
BSU	1,3-DIPHENYLUREA	A	2ZJF	0.8
3AB	3-aminobenzamide	A,B,C,D	3GOY	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
GNR	2-(3,4-DIHYDRO-3-OXO-2H-BENZO[B][1,4]THIAZIN- 2-YL)-N-HYDROXYACETAMIDE	A,B	1S17	0.73
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
BAN	HONH-BENZYLMALONYL-L-ALANYLGLYCINE- P-NITROANILIDE	A	5TLN	0.7
EOB	{1,3-PHENYLENEBIS[IMINO(2-OXOETHANE- 2,1-DIYL)]}BIS(PHOSPHONIC ACID)	A,B,C,D	2FZG	0.8
UN6	(3-{[3-(3-SULFOAMINO-PHENYL)-PROPIONYLAMINO]- METHYL}-PHENYL)-SULFAMIC ACID	A	2F70	0.73
2T3	(2R,3R)-4-ANILINO-2,3-DIHYDROXY- 4-OXOBUTANOIC ACID	A	2P36	0.71
CBE	2-METHYL-N-PHENYL-5,6-DIHYDRO-1,4- OXATHIINE-3-CARBOXAMIDE	A,B,C,D,N,O, P,Q	2FBW	0.76
SHH	OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE	A	1C3S	0.91
SHH	OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE	A,B,C	3C0Z	0.91
SHH	OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE	A	1T69	0.91
SHH	OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE	A,B,C,D	1ZZ1	0.91
566	(3S)-1-CYCLOHEXYL-5-OXO-N-PHENYLPYRROLIDINE- 3-CARBOXAMIDE	A	2H7I	0.79
PDM	4-[4-(2,5-DIOXO-PYRROLIDIN-1-YL)- PHENYLAMINO]-4-HYDROXY-BUTYRIC ACID	A,B,C	1L2O	0.75
PDM	4-[4-(2,5-DIOXO-PYRROLIDIN-1-YL)- PHENYLAMINO]-4-HYDROXY-BUTYRIC ACID	A,C	1KWO	0.75
SPB	4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID	B,H	1UB5	0.74
SPB	4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID	A,B,H,L	3CFB	0.74
SPB	4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID	B,H	3CFD	0.74
SPB	4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID	A,L	1FL3	0.74
CRI		A,B	1VKG	0.7
GEP	N-METHYL-N-(PARA-GLUTARAMIDOPHENYL- ETHYL)-PIPERIDINIUM ION	L	25C8	0.73
PHJ	N-[(AMINOOXY)CARBONYL]-N-PHENYLAMINE	A,B	1UR9	0.82
P1Z	4-BUTYL-1,2-DIPHENYL-PYRAZOLIDINE- 3,5-DIONE	A,B	2W98	0.79
P1Z	4-BUTYL-1,2-DIPHENYL-PYRAZOLIDINE- 3,5-DIONE	A,B	2BXC	0.79
P1Z	4-BUTYL-1,2-DIPHENYL-PYRAZOLIDINE- 3,5-DIONE	A	2BXP	0.79
P1Z	4-BUTYL-1,2-DIPHENYL-PYRAZOLIDINE- 3,5-DIONE	A	2BXQ	0.79
APB	M-AMINOPHENYLBORONIC ACID	A,B	3BLS	0.74
URS	N-PHENYLTHIOUREA	A,B	1BUG	0.75
IS2	[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACID	A	1O4J	0.74
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	0.71
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	0.71
G30	(1S,2R)-2-[(2,5-difluorophenyl)carbamoyl]cyclopropanecarboxylic acid	A	3G30	0.73
CIU	N-CYCLOHEXYL-N'-(4-IODOPHENYL)UREA	A,B	1EK1	0.75
CIU	N-CYCLOHEXYL-N'-(4-IODOPHENYL)UREA	A	1VJ5	0.75
NP2	N-(3-AMINOPROPYL)-2-NITROBENZENAMINE	A	1WUM	0.72
NYL	N-ALLYL-ANILINE	A	1OVK	0.79
TYX	S-(2-ANILINO-2-OXOETHYL)-L-CYSTEINE	A	2PQT	0.75
PL0	1-phenylguanidine	A	2O8W	0.74
OCH	QUINOLIN-2(1H)-ONE	A,B,C,D,E,F	1Z03	0.75
12Q	1-METHYLQUINOLIN-2(1H)-ONE	A,B	2F64	0.71
BOS	N-[4-(AMINOSULFONYL)PHENYL]-2-MERCAPTOBENZAMIDE	A	2HD6	0.71
ASR	4-AMINOPHENYLARSONIC ACID	A	1N4F	0.74
LGD	6-[BIS(2,2,2-TRIFLUOROETHYL)AMINO]- 4-(TRIFLUOROMETHYL)QUINOLIN-2(1H)- ONE	A	2HVC	0.71
AFF	2-ACETYLAMINOFLUORENE-3-YL	A	2GE2	0.75
G1L	3-CHLORO-2,2-DIMETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE	A,B	2I80	0.76
ZMG	(5R)-2-[(2-fluorophenyl)amino]- 5-(1-methylethyl)-1,3-thiazol-4(5H)- one	A,B,C,D	2RBE	0.72
ANL	ANILINE	A	2OV4	0.71
ANL	ANILINE	A	1AEE	0.71
ANL	ANILINE	A	1PPA	0.71
ANL	ANILINE	A	1HJ9	0.71
HFT	HYDROXYFLUTAMIDE	A	2AX6	0.71
T2D	1,2,5-THIADIAZOLIDIN-3-ONE-1,1- DIOXIDE	A	2BGE	0.79
IAP	4-IODO-ACETAMIDO PHENYLBORONIC ACID	A	1S6R	0.87
IAP	4-IODO-ACETAMIDO PHENYLBORONIC ACID	A,B	1K6S	0.87
LO1	[[4-(AMINOMETHYL)PHENYL]AMINO]OXO- ACETIC ACID,	A	1WAX	0.74
TYL	N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)	B,C,D	1TYM	0.72
TYL	N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)	B,C,D	1TYL	0.72
TYL	N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)	A	2OCU	0.72
TYL	N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)	A,B,C,D,F	3DJI	0.72
TYL	N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)	A	2DPZ	0.72
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
GA0	GLYCYLALANYL-N-2-NAPHTHYL-L-PROLINEAMIDE	A	2DCM	0.7
264	(phenylamino)acetonitrile	A	2RBN	0.78
1MR	N-METHYLANILINE	X	2OTZ	0.79
171	2-PHENYLAMINO-ETHANESULFONIC ACID	A,B	1SXG	0.72
HBQ	ISOPROPYL (2S)-2-ETHYL-7-FLUORO- 3-OXO-3,4-DIHYDROQUINOXALINE-1(2H)- CARBOXYLATE	A	2OPR	0.73
HBQ	ISOPROPYL (2S)-2-ETHYL-7-FLUORO- 3-OXO-3,4-DIHYDROQUINOXALINE-1(2H)- CARBOXYLATE	A,B	2OPS	0.73
HBQ	ISOPROPYL (2S)-2-ETHYL-7-FLUORO- 3-OXO-3,4-DIHYDROQUINOXALINE-1(2H)- CARBOXYLATE	A	2OPP	0.73
HBQ	ISOPROPYL (2S)-2-ETHYL-7-FLUORO- 3-OXO-3,4-DIHYDROQUINOXALINE-1(2H)- CARBOXYLATE	A	2OPQ	0.73
665	(3S)-N-(3-BROMOPHENYL)-1-CYCLOHEXYL- 5-OXOPYRROLIDINE-3-CARBOXAMIDE	A	2H7L	0.73
G3E	3-hydroxyquinolin-2(1H)-one	A,B,C,D	3G3E	0.7
BL5		A,B	1RL4	0.74
ISN	ISATIN	A,B	1OJA	0.71
ISN	ISATIN	A,B	2BK5	0.71
CF3	9,9,9-TRIFLUORO-8-OXO-N-PHENYLNONANAMIDE	A,B,C,D	2GH6	0.88
641	(3S)-1-CYCLOHEXYL-N-(3,5-DICHLOROPHENYL)- 5-OXOPYRROLIDINE-3-CARBOXAMIDE	A	2H7M	0.7