MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00700591

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
BHO	BENZHYDROXAMIC ACID	A,B	1GX2	0.73
BHO	BENZHYDROXAMIC ACID	A	1HSR	0.73
BHO	BENZHYDROXAMIC ACID	A,B	2ATJ	0.73
BHO	BENZHYDROXAMIC ACID	A,B	4ATJ	0.73
BHO	BENZHYDROXAMIC ACID	A,B	3ATJ	0.73
BHO	BENZHYDROXAMIC ACID	A	3GCK	0.73
BHO	BENZHYDROXAMIC ACID	A,B,C,D,E,F, G,H	2BOY	0.73
AHC	4-AMINOHYDROCINNAMIC ACID	A,B	2AY1	0.77
ISO	PARA-ISOPROPYLANILINE	A	1BMA	0.75
ISO	PARA-ISOPROPYLANILINE	A,B	1ELC	0.75
ISO	PARA-ISOPROPYLANILINE	A,B	1ELB	0.75
ISO	PARA-ISOPROPYLANILINE	A,B	1ELA	0.75
EAB	(3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID	A,B	2H3T	0.74
XX4	3-(2-AMINO-6-BENZOYLQUINAZOLIN- 3(4H)-YL)-N-CYCLOHEXYL-N-METHYLPROPANAMIDE	A,B,C	2Q11	0.71
ISN	ISATIN	A,B	1OJA	0.74
ISN	ISATIN	A,B	2BK5	0.74
U1N	4-[(3R)-3-{[2-(4-FLUOROPHENYL)- 2-OXOETHYL]AMINO}BUTYL]BENZAMIDE	A,B	2OGZ	0.73
KY1	4-(2-AMINOPHENYL)-4-OXOBUTANOIC ACID	A,B,C,D	2CH2	0.79
9TA	1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)- ETHYLAMINO]-ANTHRAQUINONE	A,B	1FDG	0.7
AN9	1,5-BIS[3-(DIETHYLAMINO)PROPIONAMIDO]ANTHRACENE- 9,10-DIONE	A,B	1XCU	0.71
ZAB	(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID	A,B	2H3S	0.74
ZAB	(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID	A,B,C,D	2H4B	0.74
34A	3,4-DIMETHYLANILINE	A	1L4K	0.73
DPZ	3,5-DIAMINOPHTHALHYDRAZIDE	A	1F3E	0.73
BOS	N-[4-(AMINOSULFONYL)PHENYL]-2-MERCAPTOBENZAMIDE	A	2HD6	0.73
C16	4-(4-methyl-1,3-dioxo-1,3-dihydro- 2H-isoindol-2-yl)benzonitrile	A	3BNZ	0.71
PAB	4-AMINOBENZOIC ACID	A	1PBD	0.76
PAB	4-AMINOBENZOIC ACID	B	2DZA	0.76
PAB	4-AMINOBENZOIC ACID	A	1IUS	0.76
PAB	4-AMINOBENZOIC ACID	A	1IUU	0.76
PAB	4-AMINOBENZOIC ACID	A	1IUT	0.76
12B	BENZO[CD]INDOL-2(1H)-ONE	A,B	2F67	0.73
3AB	3-aminobenzamide	A,B,C,D	3GOY	0.84
PBF	PARA-(BENZOYL)-PHENYLALANINE	A	2FR9	0.71
PBF	PARA-(BENZOYL)-PHENYLALANINE	A,B	1EEN	0.71
PBF	PARA-(BENZOYL)-PHENYLALANINE	A	2HGZ	0.71
PBF	PARA-(BENZOYL)-PHENYLALANINE	A	2FRB	0.71
ANI	4-TRIFLUOROMETHYLANILINE	E,I	1ELE	0.7
ANI	4-TRIFLUOROMETHYLANILINE	E,I	7EST	0.7
ANI	4-TRIFLUOROMETHYLANILINE	E,I	2EST	0.7
ANI	4-TRIFLUOROMETHYLANILINE	E,I	1ELD	0.7
TSN	TRICHOSTATIN A	A,B	1T64	0.81
TSN	TRICHOSTATIN A	A,B	1C3R	0.81
TSN	TRICHOSTATIN A	A,B,C	3F0R	0.81
TSN	TRICHOSTATIN A	A,B,C	3C10	0.81
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	0.71
AFF	2-ACETYLAMINOFLUORENE-3-YL	A	2GE2	0.71
UN6	(3-{[3-(3-SULFOAMINO-PHENYL)-PROPIONYLAMINO]- METHYL}-PHENYL)-SULFAMIC ACID	A	2F70	0.7
APZ	4-AMINOPHTHALHYDRAZIDE	A	1ENU	0.78
CRI		A,B	1VKG	0.72
PRY	2-PROPYL-ANILINE	A	1OWY	0.74
P34	N~2~,N~2~-DIMETHYL-N~1~-(6-OXO- 5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE	A,B	3GEY	0.72
P34	N~2~,N~2~-DIMETHYL-N~1~-(6-OXO- 5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE	A	3CE0	0.72
P34	N~2~,N~2~-DIMETHYL-N~1~-(6-OXO- 5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE	A,B	1XK9	0.72
P34	N~2~,N~2~-DIMETHYL-N~1~-(6-OXO- 5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE	A	2Q6M	0.72
P34	N~2~,N~2~-DIMETHYL-N~1~-(6-OXO- 5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE	A,B,C,D,E,F	1ZM9	0.72
HBC	(2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT- 2-YL)-PHENYL-METHANONE	H	1JGU	0.75
605	4'-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]biphenyl- 3-carboxamide	A,B	3D4L	0.71
BE2	2-AMINOBENZOIC ACID	A,B,C,D,E,F, G,H	1F8S	0.72
BE2	2-AMINOBENZOIC ACID	E,I	1ZFP	0.72
BE2	2-AMINOBENZOIC ACID	A,B	2HU8	0.72
BE2	2-AMINOBENZOIC ACID	A,B	1AN9	0.72
BE2	2-AMINOBENZOIC ACID	A,B,C,D	2GVQ	0.72
BE2	2-AMINOBENZOIC ACID	A,B	2YR6	0.72
BE2	2-AMINOBENZOIC ACID	A,I	1E8N	0.72
BE2	2-AMINOBENZOIC ACID	A,B,C,D	1ZYK	0.72
BE2	2-AMINOBENZOIC ACID	A	1C0I	0.72
BE2	2-AMINOBENZOIC ACID	A,B	2JB3	0.72
BE2	2-AMINOBENZOIC ACID	A,B,C,D	2E4A	0.72
NID	4-NITRO-INDEN-1-ONE	A,B	1DOH	0.76
4MB	4-[(METHYLSULFONYL)AMINO]BENZOIC ACID	A,B	2HDS	0.72
4PG	1-[4-(2-oxo-2-phenylethyl)phenyl]guanidine	U	2R2W	0.83
2UN	{4-[2-BENZYL-3-METHOXY-2-(METHOXYCARBONYL)- 3-OXOPROPYL]PHENYL}SULFAMIC ACID	A,B	2H02	0.71
BZQ	DIPHENYLMETHANONE	A,B	1GT5	0.74
BZQ	DIPHENYLMETHANONE	A,B	1DZP	0.74
BVA	TRIHYDROXY[(N-HYDROXYBENZAMIDATO)OXO]VANADATE	B,C	2P8O	0.71
4AN	6-AMINO-BENZO[DE]ISOQUINOLINE-1,3- DIONE	A	2PAX	0.78
9AP	9-AMINOPHENANTHRENE	A	1EGY	0.71
EBW	4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}- 3-OXOPENTYL)-N,N-DIMETHYL-N-PROP- 2-ENYLBENZENAMINIUM	A	1E3Q	0.76
IBR		A	9EST	0.73
UA5	(4-ETHYLPHENYL)SULFAMIC ACID	A,B	2I5X	0.73
XYD	2,5-DIMETHYLANILINE	A,B,C,D	1KYA	0.71
XYD	2,5-DIMETHYLANILINE	A	1L4L	0.71
TTT	5-amino-2-methyl-N-[(1R)-1-naphthalen- 1-ylethyl]benzamide	A	3E9S	0.73
KYN	KYNURENINE	A,B,C,D	2R2N	0.74
KYN	KYNURENINE	A,B	3E2Z	0.74
KYN	KYNURENINE	A	1XT7	0.74
KYN	KYNURENINE	A	1T5M	0.74
KYN	KYNURENINE	A	1T5N	0.74
KYN	KYNURENINE	A	2VOV	0.74
KYN	KYNURENINE	A	2VOX	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
675	6-[(Z)-AMINO(IMINO)METHYL]-N-PHENYL- 2-NAPHTHAMIDE	A	1OWE	0.71