MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02842797

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
AHC	4-AMINOHYDROCINNAMIC ACID	A,B	2AY1	0.77
HPQ	HOMOPHENYLALANINYLMETHANE	B	1EWP	0.73
B3N	4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE	A,B	3F06	0.71
B3N	4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE	A,B	3EZP	0.71
B3N	4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE	A	3EW8	0.71
B3N	4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE	A,B	3EZT	0.71
B3N	4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE	A	1T67	0.71
4AF	4-ACETYL-L-PHENYLALANINE	A	1ZH6	0.7
ISN	ISATIN	A,B	1OJA	0.74
ISN	ISATIN	A,B	2BK5	0.74
12B	BENZO[CD]INDOL-2(1H)-ONE	A,B	2F67	0.7
SP8	N-{(1S)-3-[(4-aminobutyl)amino]- 1-methylpropyl}benzamide	A,B	3CNS	0.72
XYD	2,5-DIMETHYLANILINE	A,B,C,D	1KYA	0.74
XYD	2,5-DIMETHYLANILINE	A	1L4L	0.74
KY1	4-(2-AMINOPHENYL)-4-OXOBUTANOIC ACID	A,B,C,D	2CH2	0.79
DPZ	3,5-DIAMINOPHTHALHYDRAZIDE	A	1F3E	0.72
PRY	2-PROPYL-ANILINE	A	1OWY	0.77
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
AC0	1-PHENYLETHANONE	A	1ZK1	0.72
AC0	1-PHENYLETHANONE	A	1ZK4	0.72
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
APZ	4-AMINOPHTHALHYDRAZIDE	A	1ENU	0.77
CRI		A,B	1VKG	0.7
ISO	PARA-ISOPROPYLANILINE	A	1BMA	0.78
ISO	PARA-ISOPROPYLANILINE	A,B	1ELC	0.78
ISO	PARA-ISOPROPYLANILINE	A,B	1ELB	0.78
ISO	PARA-ISOPROPYLANILINE	A,B	1ELA	0.78
HBC	(2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT- 2-YL)-PHENYL-METHANONE	H	1JGU	0.73
3AB	3-aminobenzamide	A,B,C,D	3GOY	0.85
ANI	4-TRIFLUOROMETHYLANILINE	E,I	1ELE	0.72
ANI	4-TRIFLUOROMETHYLANILINE	E,I	7EST	0.72
ANI	4-TRIFLUOROMETHYLANILINE	E,I	2EST	0.72
ANI	4-TRIFLUOROMETHYLANILINE	E,I	1ELD	0.72
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
150	4,5-DIMETHYL-1,2-PHENYLENEDIAMINE	A	1L4F	0.72
TSN	TRICHOSTATIN A	A,B	1T64	0.84
TSN	TRICHOSTATIN A	A,B	1C3R	0.84
TSN	TRICHOSTATIN A	A,B,C	3F0R	0.84
TSN	TRICHOSTATIN A	A,B,C	3C10	0.84
NID	4-NITRO-INDEN-1-ONE	A,B	1DOH	0.76
BVA	TRIHYDROXY[(N-HYDROXYBENZAMIDATO)OXO]VANADATE	B,C	2P8O	0.71
PHM	PHENYLALANYLMETHANE	A,I	1PJP	0.73
PHM	PHENYLALANYLMETHANE	A,B,C	2J9J	0.73
PHM	PHENYLALANYLMETHANE	A,B,C	2JE4	0.73
FLM	3-FLUORO-2-METHYL-ANILINE	A	1OVJ	0.73
DBP	1,3-DIAMINOBENZYL PHENYLALANINE	A	1A85	0.71
4PG	1-[4-(2-oxo-2-phenylethyl)phenyl]guanidine	U	2R2W	0.8
EBW	4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}- 3-OXOPENTYL)-N,N-DIMETHYL-N-PROP- 2-ENYLBENZENAMINIUM	A	1E3Q	0.76
P34	N~2~,N~2~-DIMETHYL-N~1~-(6-OXO- 5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE	A,B	3GEY	0.71
P34	N~2~,N~2~-DIMETHYL-N~1~-(6-OXO- 5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE	A	3CE0	0.71
P34	N~2~,N~2~-DIMETHYL-N~1~-(6-OXO- 5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE	A,B	1XK9	0.71
P34	N~2~,N~2~-DIMETHYL-N~1~-(6-OXO- 5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE	A	2Q6M	0.71
P34	N~2~,N~2~-DIMETHYL-N~1~-(6-OXO- 5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE	A,B,C,D,E,F	1ZM9	0.71
IBR		A	9EST	0.73
U1N	4-[(3R)-3-{[2-(4-FLUOROPHENYL)- 2-OXOETHYL]AMINO}BUTYL]BENZAMIDE	A,B	2OGZ	0.71
TYZ	PARA ACETAMIDO BENZOIC ACID	B,C	2BNI	0.71
TYZ	PARA ACETAMIDO BENZOIC ACID	A	1W5K	0.71
TYZ	PARA ACETAMIDO BENZOIC ACID	A	1W5J	0.71
4AN	6-AMINO-BENZO[DE]ISOQUINOLINE-1,3- DIONE	A	2PAX	0.74
TTT	5-amino-2-methyl-N-[(1R)-1-naphthalen- 1-ylethyl]benzamide	A	3E9S	0.73
SP9	N-{(1R)-3-[(4-aminobutyl)amino]- 1-methylpropyl}benzamide	A,B	3CNT	0.72
34A	3,4-DIMETHYLANILINE	A	1L4K	0.76
BZQ	DIPHENYLMETHANONE	A,B	1GT5	0.7
BZQ	DIPHENYLMETHANONE	A,B	1DZP	0.7
4MB	4-[(METHYLSULFONYL)AMINO]BENZOIC ACID	A,B	2HDS	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
LEG	1-(4-HEXYLPHENYL)PROP-2-EN-1-ONE	A,B	2PIN	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
UA5	(4-ETHYLPHENYL)SULFAMIC ACID	A,B	2I5X	0.74
CF3	9,9,9-TRIFLUORO-8-OXO-N-PHENYLNONANAMIDE	A,B,C,D	2GH6	0.71