MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02792353

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
PRY	2-PROPYL-ANILINE	A	1OWY	0.7
675	6-[(Z)-AMINO(IMINO)METHYL]-N-PHENYL- 2-NAPHTHAMIDE	A	1OWE	0.74
GK5	N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)- 6-methylbiphenyl-3,4'-dicarboxamide	A	3D7Z	0.72
IPO	PARA-IODO-D-PHENYLALANINE HYDROXAMIC ACID	A	1IGB	0.7
TTT	5-amino-2-methyl-N-[(1R)-1-naphthalen- 1-ylethyl]benzamide	A	3E9S	0.76
UN6	(3-{[3-(3-SULFOAMINO-PHENYL)-PROPIONYLAMINO]- METHYL}-PHENYL)-SULFAMIC ACID	A	2F70	0.74
ZAB	(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID	A,B	2H3S	0.73
ZAB	(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID	A,B,C,D	2H4B	0.73
U1N	4-[(3R)-3-{[2-(4-FLUOROPHENYL)- 2-OXOETHYL]AMINO}BUTYL]BENZAMIDE	A,B	2OGZ	0.73
SHH	OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE	A	1C3S	0.75
SHH	OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE	A,B,C	3C0Z	0.75
SHH	OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE	A	1T69	0.75
SHH	OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE	A,B,C,D	1ZZ1	0.75
BVA	TRIHYDROXY[(N-HYDROXYBENZAMIDATO)OXO]VANADATE	B,C	2P8O	0.77
TSN	TRICHOSTATIN A	A,B	1T64	0.8
TSN	TRICHOSTATIN A	A,B	1C3R	0.8
TSN	TRICHOSTATIN A	A,B,C	3F0R	0.8
TSN	TRICHOSTATIN A	A,B,C	3C10	0.8
239	6-[(Z)-AMINO(IMINO)METHYL]-N-[4- (AMINOMETHYL)PHENYL]-2-NAPHTHAMIDE	A	1OWH	0.71
HBC	(2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT- 2-YL)-PHENYL-METHANONE	H	1JGU	0.7
NID	4-NITRO-INDEN-1-ONE	A,B	1DOH	0.77
EAB	(3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID	A,B	2H3T	0.73
P34	N~2~,N~2~-DIMETHYL-N~1~-(6-OXO- 5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE	A,B	3GEY	0.74
P34	N~2~,N~2~-DIMETHYL-N~1~-(6-OXO- 5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE	A	3CE0	0.74
P34	N~2~,N~2~-DIMETHYL-N~1~-(6-OXO- 5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE	A,B	1XK9	0.74
P34	N~2~,N~2~-DIMETHYL-N~1~-(6-OXO- 5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE	A	2Q6M	0.74
P34	N~2~,N~2~-DIMETHYL-N~1~-(6-OXO- 5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE	A,B,C,D,E,F	1ZM9	0.74
DPZ	3,5-DIAMINOPHTHALHYDRAZIDE	A	1F3E	0.73
A80	N-(5,5,8,8-TETRAMETHYL-5,8-DIHYDRO- NAPHTHALEN-2-YL)-TEREPHTHALAMIC ACID	A	2CBR	0.71
AHC	4-AMINOHYDROCINNAMIC ACID	A,B	2AY1	0.74
4BM	N-{[(2R)-2,3-dihydroxypropyl]oxy}- 3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzamide	A	3EQG	0.72
4PG	1-[4-(2-oxo-2-phenylethyl)phenyl]guanidine	U	2R2W	0.77
MRA	2-[(4-ETHYNYL-2-FLUOROPHENYL)AMINO]- 3,4-DIFLUORO-N-(2-HYDROXYETHOXY)BENZAMIDE	A	2P55	0.74
BOS	N-[4-(AMINOSULFONYL)PHENYL]-2-MERCAPTOBENZAMIDE	A	2HD6	0.74
APZ	4-AMINOPHTHALHYDRAZIDE	A	1ENU	0.78
AQO	2-AMINOQUINAZOLIN-4(3H)-ONE	A	1S39	0.71
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
AN9	1,5-BIS[3-(DIETHYLAMINO)PROPIONAMIDO]ANTHRACENE- 9,10-DIONE	A,B	1XCU	0.72
PPN	PARA-NITROPHENYLALANINE	I	1YTJ	0.7
605	4'-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]biphenyl- 3-carboxamide	A,B	3D4L	0.76
ANC	ANTHRACEN-1-YLAMINE	A,B	1GT1	0.71
ANC	ANTHRACEN-1-YLAMINE	A,B	1HN2	0.71
12B	BENZO[CD]INDOL-2(1H)-ONE	A,B	2F67	0.76
GW9	2-chloro-5-nitro-N-phenylbenzamide	A,D	3E00	0.76
4AN	6-AMINO-BENZO[DE]ISOQUINOLINE-1,3- DIONE	A	2PAX	0.78
IBR		A	9EST	0.72
CRI		A,B	1VKG	0.83
GIN	2-{[(6-OXO-1,6-DIHYDROPYRIDIN-3- YL)METHYL]AMINO}-N-[4-PROPYL-3- (TRIFLUOROMETHYL)PHENYL]BENZAMIDE	A,B	2HZ0	0.72
3AB	3-aminobenzamide	A,B,C,D	3GOY	0.87
KYN	KYNURENINE	A,B,C,D	2R2N	0.72
KYN	KYNURENINE	A,B	3E2Z	0.72
KYN	KYNURENINE	A	1XT7	0.72
KYN	KYNURENINE	A	1T5M	0.72
KYN	KYNURENINE	A	1T5N	0.72
KYN	KYNURENINE	A	2VOV	0.72
KYN	KYNURENINE	A	2VOX	0.72
BE2	2-AMINOBENZOIC ACID	A,B,C,D,E,F, G,H	1F8S	0.7
BE2	2-AMINOBENZOIC ACID	E,I	1ZFP	0.7
BE2	2-AMINOBENZOIC ACID	A,B	2HU8	0.7
BE2	2-AMINOBENZOIC ACID	A,B	1AN9	0.7
BE2	2-AMINOBENZOIC ACID	A,B,C,D	2GVQ	0.7
BE2	2-AMINOBENZOIC ACID	A,B	2YR6	0.7
BE2	2-AMINOBENZOIC ACID	A,I	1E8N	0.7
BE2	2-AMINOBENZOIC ACID	A,B,C,D	1ZYK	0.7
BE2	2-AMINOBENZOIC ACID	A	1C0I	0.7
BE2	2-AMINOBENZOIC ACID	A,B	2JB3	0.7
BE2	2-AMINOBENZOIC ACID	A,B,C,D	2E4A	0.7
9AP	9-AMINOPHENANTHRENE	A	1EGY	0.71
PAB	4-AMINOBENZOIC ACID	A	1PBD	0.7
PAB	4-AMINOBENZOIC ACID	B	2DZA	0.7
PAB	4-AMINOBENZOIC ACID	A	1IUS	0.7
PAB	4-AMINOBENZOIC ACID	A	1IUU	0.7
PAB	4-AMINOBENZOIC ACID	A	1IUT	0.7
AFF	2-ACETYLAMINOFLUORENE-3-YL	A	2GE2	0.72
XYD	2,5-DIMETHYLANILINE	A,B,C,D	1KYA	0.71
XYD	2,5-DIMETHYLANILINE	A	1L4L	0.71
ISO	PARA-ISOPROPYLANILINE	A	1BMA	0.71
ISO	PARA-ISOPROPYLANILINE	A,B	1ELC	0.71
ISO	PARA-ISOPROPYLANILINE	A,B	1ELB	0.71
ISO	PARA-ISOPROPYLANILINE	A,B	1ELA	0.71
ISN	ISATIN	A,B	1OJA	0.71
ISN	ISATIN	A,B	2BK5	0.71
34A	3,4-DIMETHYLANILINE	A	1L4K	0.71
C16	4-(4-methyl-1,3-dioxo-1,3-dihydro- 2H-isoindol-2-yl)benzonitrile	A	3BNZ	0.72
BHO	BENZHYDROXAMIC ACID	A,B	1GX2	0.79
BHO	BENZHYDROXAMIC ACID	A	1HSR	0.79
BHO	BENZHYDROXAMIC ACID	A,B	2ATJ	0.79
BHO	BENZHYDROXAMIC ACID	A,B	4ATJ	0.79
BHO	BENZHYDROXAMIC ACID	A,B	3ATJ	0.79
BHO	BENZHYDROXAMIC ACID	A	3GCK	0.79
BHO	BENZHYDROXAMIC ACID	A,B,C,D,E,F, G,H	2BOY	0.79
KY1	4-(2-AMINOPHENYL)-4-OXOBUTANOIC ACID	A,B,C,D	2CH2	0.74
GAB	3-AMINOBENZOIC ACID	A,B,C,D,E,F	2PQF	0.73
GAB	3-AMINOBENZOIC ACID	A,B	3GSB	0.73
GAB	3-AMINOBENZOIC ACID	A,B,C	1GBN	0.73
GAB	3-AMINOBENZOIC ACID	A	3FHB	0.73