MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00005059

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
AC0	1-PHENYLETHANONE	A	1ZK1	0.7
AC0	1-PHENYLETHANONE	A	1ZK4	0.7
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
BVA	TRIHYDROXY[(N-HYDROXYBENZAMIDATO)OXO]VANADATE	B,C	2P8O	0.7
EAB	(3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID	A,B	2H3T	0.74
34A	3,4-DIMETHYLANILINE	A	1L4K	0.74
4PG	1-[4-(2-oxo-2-phenylethyl)phenyl]guanidine	U	2R2W	0.84
XX4	3-(2-AMINO-6-BENZOYLQUINAZOLIN- 3(4H)-YL)-N-CYCLOHEXYL-N-METHYLPROPANAMIDE	A,B,C	2Q11	0.71
BOS	N-[4-(AMINOSULFONYL)PHENYL]-2-MERCAPTOBENZAMIDE	A	2HD6	0.72
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
DBP	1,3-DIAMINOBENZYL PHENYLALANINE	A	1A85	0.7
ISN	ISATIN	A,B	1OJA	0.73
ISN	ISATIN	A,B	2BK5	0.73
605	4'-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]biphenyl- 3-carboxamide	A,B	3D4L	0.72
BE2	2-AMINOBENZOIC ACID	A,B,C,D,E,F, G,H	1F8S	0.71
BE2	2-AMINOBENZOIC ACID	E,I	1ZFP	0.71
BE2	2-AMINOBENZOIC ACID	A,B	2HU8	0.71
BE2	2-AMINOBENZOIC ACID	A,B	1AN9	0.71
BE2	2-AMINOBENZOIC ACID	A,B,C,D	2GVQ	0.71
BE2	2-AMINOBENZOIC ACID	A,B	2YR6	0.71
BE2	2-AMINOBENZOIC ACID	A,I	1E8N	0.71
BE2	2-AMINOBENZOIC ACID	A,B,C,D	1ZYK	0.71
BE2	2-AMINOBENZOIC ACID	A	1C0I	0.71
BE2	2-AMINOBENZOIC ACID	A,B	2JB3	0.71
BE2	2-AMINOBENZOIC ACID	A,B,C,D	2E4A	0.71
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
4MB	4-[(METHYLSULFONYL)AMINO]BENZOIC ACID	A,B	2HDS	0.71
DPZ	3,5-DIAMINOPHTHALHYDRAZIDE	A	1F3E	0.73
150	4,5-DIMETHYL-1,2-PHENYLENEDIAMINE	A	1L4F	0.7
NID	4-NITRO-INDEN-1-ONE	A,B	1DOH	0.75
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
HPQ	HOMOPHENYLALANINYLMETHANE	B	1EWP	0.7
XYD	2,5-DIMETHYLANILINE	A,B,C,D	1KYA	0.72
XYD	2,5-DIMETHYLANILINE	A	1L4L	0.72
12B	BENZO[CD]INDOL-2(1H)-ONE	A,B	2F67	0.74
3AB	3-aminobenzamide	A,B,C,D	3GOY	0.85
BHO	BENZHYDROXAMIC ACID	A,B	1GX2	0.72
BHO	BENZHYDROXAMIC ACID	A	1HSR	0.72
BHO	BENZHYDROXAMIC ACID	A,B	2ATJ	0.72
BHO	BENZHYDROXAMIC ACID	A,B	4ATJ	0.72
BHO	BENZHYDROXAMIC ACID	A,B	3ATJ	0.72
BHO	BENZHYDROXAMIC ACID	A	3GCK	0.72
BHO	BENZHYDROXAMIC ACID	A,B,C,D,E,F, G,H	2BOY	0.72
AFF	2-ACETYLAMINOFLUORENE-3-YL	A	2GE2	0.71
APZ	4-AMINOPHTHALHYDRAZIDE	A	1ENU	0.78
U1N	4-[(3R)-3-{[2-(4-FLUOROPHENYL)- 2-OXOETHYL]AMINO}BUTYL]BENZAMIDE	A,B	2OGZ	0.72
PRY	2-PROPYL-ANILINE	A	1OWY	0.74
EBW	4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}- 3-OXOPENTYL)-N,N-DIMETHYL-N-PROP- 2-ENYLBENZENAMINIUM	A	1E3Q	0.77
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
PAB	4-AMINOBENZOIC ACID	A	1PBD	0.75
PAB	4-AMINOBENZOIC ACID	B	2DZA	0.75
PAB	4-AMINOBENZOIC ACID	A	1IUS	0.75
PAB	4-AMINOBENZOIC ACID	A	1IUU	0.75
PAB	4-AMINOBENZOIC ACID	A	1IUT	0.75
KY1	4-(2-AMINOPHENYL)-4-OXOBUTANOIC ACID	A,B,C,D	2CH2	0.78
ANC	ANTHRACEN-1-YLAMINE	A,B	1GT1	0.71
ANC	ANTHRACEN-1-YLAMINE	A,B	1HN2	0.71
2UN	{4-[2-BENZYL-3-METHOXY-2-(METHOXYCARBONYL)- 3-OXOPROPYL]PHENYL}SULFAMIC ACID	A,B	2H02	0.71
GAB	3-AMINOBENZOIC ACID	A,B,C,D,E,F	2PQF	0.72
GAB	3-AMINOBENZOIC ACID	A,B	3GSB	0.72
GAB	3-AMINOBENZOIC ACID	A,B,C	1GBN	0.72
GAB	3-AMINOBENZOIC ACID	A	3FHB	0.72
4AN	6-AMINO-BENZO[DE]ISOQUINOLINE-1,3- DIONE	A	2PAX	0.78
BZQ	DIPHENYLMETHANONE	A,B	1GT5	0.75
BZQ	DIPHENYLMETHANONE	A,B	1DZP	0.75
IBR		A	9EST	0.72
HBC	(2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT- 2-YL)-PHENYL-METHANONE	H	1JGU	0.76
UA5	(4-ETHYLPHENYL)SULFAMIC ACID	A,B	2I5X	0.72
9AP	9-AMINOPHENANTHRENE	A	1EGY	0.71
C16	4-(4-methyl-1,3-dioxo-1,3-dihydro- 2H-isoindol-2-yl)benzonitrile	A	3BNZ	0.7
PHM	PHENYLALANYLMETHANE	A,I	1PJP	0.7
PHM	PHENYLALANYLMETHANE	A,B,C	2J9J	0.7
PHM	PHENYLALANYLMETHANE	A,B,C	2JE4	0.7
CRI		A,B	1VKG	0.71
ANI	4-TRIFLUOROMETHYLANILINE	E,I	1ELE	0.71
ANI	4-TRIFLUOROMETHYLANILINE	E,I	7EST	0.71
ANI	4-TRIFLUOROMETHYLANILINE	E,I	2EST	0.71
ANI	4-TRIFLUOROMETHYLANILINE	E,I	1ELD	0.71
FLM	3-FLUORO-2-METHYL-ANILINE	A	1OVJ	0.7
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	0.7
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
TTT	5-amino-2-methyl-N-[(1R)-1-naphthalen- 1-ylethyl]benzamide	A	3E9S	0.74
675	6-[(Z)-AMINO(IMINO)METHYL]-N-PHENYL- 2-NAPHTHAMIDE	A	1OWE	0.71