MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00049877

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
TY2	3-AMINO-L-TYROSINE	A,B	2VH3	0.7
761	3-(OXALYL-AMINO)-NAPHTHALENE-2- CARBOXYLIC ACID	A	1C84	0.73
DZ1	N-(3,5-dibromo-4-hydroxyphenyl)- 2,6-dimethylbenzamide	A,B	3ESN	0.81
MNY	5,8-DI-AMINO-1,4-DIHYDROXY-ANTHRAQUINONE	A	1M2R	0.76
TYZ	PARA ACETAMIDO BENZOIC ACID	B,C	2BNI	0.75
TYZ	PARA ACETAMIDO BENZOIC ACID	A	1W5K	0.75
TYZ	PARA ACETAMIDO BENZOIC ACID	A	1W5J	0.75
IDB	3-[5-[(3-CARBOXY-2,4,6-TRIIODO- PHENYL)CARBAMOYL]PENTANOYLAMINO]- 2,4,6-TRIIODO-BENZOIC ACID	A	2BXN	0.74
GBS	4-GUANIDINOBENZOIC ACID	X	2AH4	0.71
GBS	4-GUANIDINOBENZOIC ACID	A	1GBT	0.71
GBS	4-GUANIDINOBENZOIC ACID	A	1RTK	0.71
GBS	4-GUANIDINOBENZOIC ACID	A	3DFL	0.71
MOY	[(4R)-4-(3-HYDROXYPHENYL)-1,6-DIMETHYL- 2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN- 5-YL](PHENYL)METHANONE	A,B	2IEH	0.73
135	N-(4-CARBAMIMIDOYL-PHENYL)-2-HYDROXY- BENZAMIDE	B	1GJA	0.78
A80	N-(5,5,8,8-TETRAMETHYL-5,8-DIHYDRO- NAPHTHALEN-2-YL)-TEREPHTHALAMIC ACID	A	2CBR	0.8
OFL	O-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACID	A	1DVZ	0.77
DZ3	N-(3,5-dibromo-4-hydroxyphenyl)- 4-hydroxy-3,5-dimethylbenzamide	A,B	3ESP	0.76
MRE	2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACID	A,B	2V9C	0.73
P2C	2-[(3,5-DICHLORO-4-TRIOXIDANYLPHENYL)AMINO]BENZOIC ACID	A,B	1U21	0.76
6CA		A	2FLM	0.76
FEN	N-(4-HYDROXYPHENYL)ALL-TRANS RETINAMIDE	A	1FEL	0.8
4A3	4-AMINO-3-HYDROXYBENZOIC ACID	A,B	2HDR	0.73
OPB	4-BUTYL-1-(4-HYDROXYPHENYL)-2-PHENYLPYRAZOLIDINE- 3,5-DIONE	A	1Q7A	0.72
OPB	4-BUTYL-1-(4-HYDROXYPHENYL)-2-PHENYLPYRAZOLIDINE- 3,5-DIONE	A,B	2BXB	0.72
OPB	4-BUTYL-1-(4-HYDROXYPHENYL)-2-PHENYLPYRAZOLIDINE- 3,5-DIONE	A	2BXO	0.72
MTB		A,B	1SRF	0.77
ATC	9-(N,N-DIMETHYLGLYCYLAMIDO)-6-DEOXY- 6-DEMETHYL-TETRACYCLINE	A	1ORK	0.7
DZ2	2,5-dichloro-N-(3,5-dibromo-4-hydroxyphenyl)benzamide	A,B	3ESO	0.74
NAB		A,B	1SRJ	0.78
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
A48	4-[(DIMESITYLBORYL)(2,2,2-TRIFLUOROETHYL)AMINO]PHENOL	A,B	2Q6J	0.73
LJ5	N-(3,5-dibromo-4-hydroxyphenyl)benzamide	A,B	3CN4	0.81
MIY	(4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)- 3,10,12,12A-TETRAHYDROXY-1,11-DIOXO- 1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE- 2-CARBOXAMIDE	A	2DRD	0.73
3B4	2-(cyclohexylamino)benzoic acid	A,B	3B4P	0.76
PAB	4-AMINOBENZOIC ACID	A	1PBD	0.71
PAB	4-AMINOBENZOIC ACID	B	2DZA	0.71
PAB	4-AMINOBENZOIC ACID	A	1IUS	0.71
PAB	4-AMINOBENZOIC ACID	A	1IUU	0.71
PAB	4-AMINOBENZOIC ACID	A	1IUT	0.71
ILB		A	2FPT	0.72
HAB		A,B	1SRE	0.78
OBA	2-(OXALYL-AMINO)-BENZOIC ACID	A	1C85	0.72
DMC	3-(4-DIETHYLAMINO-2-HYDROXY-PHENYL)- 2-METHYL-PROPIONIC ACID	G	4GCH	0.71
968	2-[(7-HYDROXY-NAPHTHALEN-1-YL)- OXALYL-AMINO]-BENZOIC ACID	A	1ONZ	0.77
44C		A	2FBR	0.76
FLF	2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID	A,B	1BM7	0.76
FLF	2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID	A	1S2C	0.76
FLF	2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID	A	2PIX	0.76
421	6-CARBAMIMIDOYL-4-(3-HYDROXY-2- METHYL-BENZOYLAMINO)-NAPHTHALENE- 2-CARBOXYLIC ACID METHYL ESTER	A	1ZSK	0.75
961	3-FLUORO-4-[2-HYDROXY-2-(5,5,8,8- TETRAMETHYL-5,6,7,8,-TETRAHYDRO- NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID	A	4LBD	0.72
961	3-FLUORO-4-[2-HYDROXY-2-(5,5,8,8- TETRAMETHYL-5,6,7,8,-TETRAHYDRO- NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID	A	1EXX	0.72
DMB		A,B	1SRI	0.75
RXD	N-[3-(2-fluoroethoxy)phenyl]-N'- (1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin- 6-yl)butanediamide	A,B,C,D	3DEK	0.72
BHA	2-HYDROXY-4-AMINOBENZOIC ACID	A	1PBC	0.72
BHA	2-HYDROXY-4-AMINOBENZOIC ACID	A	1PBF	0.72
BHA	2-HYDROXY-4-AMINOBENZOIC ACID	A	1SXK	0.72
C00	2-(4-hydroxybiphenyl-3-yl)-4-methyl- 1H-isoindole-1,3(2H)-dione	A	3BYX	0.77
C00	2-(4-hydroxybiphenyl-3-yl)-4-methyl- 1H-isoindole-1,3(2H)-dione	A	3BZ0	0.77
709	N-(7-CARBAMIMIDOYL-NAPHTHALEN-1- YL)-3-HYDROXY-2-METHYL-BENZAMIDE	A	1ZSJ	0.78
L05	1-BENZYL-3-(4-METHOXYPHENYLAMINO)- 4-PHENYLPYRROLE-2,5-DIONE	A,B,C,D,E,F, G,H	2ACL	0.73
FLG	FLUORESCEINYLTHIOUREIDO	A,B	1OCB	0.72
878	5-IODO-2-(OXALYL-AMINO)-BENZOIC ACID	A	1ECV	0.7
NU1	8-HYDROXY-2-METHYL-3-HYDRO-QUINAZOLIN- 4-ONE	A	4PAX	0.71
ST6	4-(ACETYLAMINO)-3-[(AMINOACETYL)AMINO]BENZOIC ACID	A,B	1INH	0.71
MIX	1,4-DIHYDROXY-5,8-BIS({2-[(2-HYDROXYETHYL)AMINO]ETHYL}AMINO)- 9,10-ANTHRACENEDIONE	A,B,C,D	2FUM	0.75
3FT		A	2BXV	0.73
EOZ	3,5-BIS[(PHOSPHONOACETYL)AMINO]BENZOIC ACID	A,B,C,D	2FZK	0.71
LZQ	4-[3-(dibenzylamino)phenyl]-2,4- dioxobutanoic acid	A	3EB1	0.7
RHO	TETRAMETHYLRHODAMINE-5-MALEIMIDE	A	1J6Z	0.71
RHO	TETRAMETHYLRHODAMINE-5-MALEIMIDE	A	1NWK	0.71
RQ3	2-{4-[(3,5-DIMETHYLANILINO)-CARBONYL- METHYL]-PHENOXY}-2-METHYLPROPIONIC ACID	A,B,C,D	1G9V	0.7
LI7	(3E)-3-[(4-HYDROXYPHENYL)IMINO]- 1H-INDOL-2(3H)-ONE	A	1YXX	0.79
3HA	3-HYDROXYANTHRANILIC ACID	A,B	1U1W	0.71
3HA	3-HYDROXYANTHRANILIC ACID	A	1YFY	0.71
MHB		A,B	1SRG	0.77
XP1	4-(DIMETHYLAMINO)BENZOIC ACID	A,B	2VJ1	0.72
XP1	4-(DIMETHYLAMINO)BENZOIC ACID	A	2V6N	0.72
HNA	1,8-DI-HYDROXY-4-NITRO-ANTHRAQUINONE	A	1M2P	0.74
794	2-[(CARBOXYCARBONYL)(1-NAPHTHYL)AMINO]BENZOIC ACID	A	1NO6	0.72
N3P	N-(4-CHLOROPHENYL)-3-(PHOSPHONOOXY)NAPHTHALENE- 2-CARBOXAMIDE	A,B,C,D	2OT1	0.72
679	2-CHLORO-5-[4-(3-CHLORO-PHENYL)- 2,5-DIOXO-2,5-DIHYDRO-1H-PYRROL- 3-YLAMINO]-BENZOIC ACID	A,B	1Q4L	0.71
4BS	4-amino-N-[4-(benzyloxy)phenyl]butanamide	A	3CHR	0.71
IC1	3-[(2,4,6-TRIMETHOXY-PHENYL)-METHYLENE]- INDOLIN-2-ONE	A,B	1EH4	0.71
394	R-3-FLUORO-4-[2-HYDROXY-2-(5,5,8,8- TETRAMETHYL-5,6,7,8,-TETRAHYDRO- NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID	A	1EXA	0.72
FDI	4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACID	A	1B9S	0.72
2T1	2-[({4-[2-(trifluoromethyl)phenyl]piperidin- 1-yl}carbonyl)amino]benzoic acid	A,B	3FMZ	0.72
D27	2-{[(2E)-3-(3,4-dimethoxyphenyl)prop- 2-enoyl]amino}benzoic acid	A,B,C,D	2VD0	0.74
ST2	4-(ACETYLAMINO)-5-AMINO-3-HYDROXYBENZOIC ACID	A,B	1IVC	0.72
R2C	5-METHOXY-2-[(4-PHENOXYPHENYL)AMINO]BENZOIC ACID	A	2PRL	0.76
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
TYL	N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)	B,C,D	1TYM	0.74
TYL	N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)	B,C,D	1TYL	0.74
TYL	N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)	A	2OCU	0.74
TYL	N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)	A,B,C,D,F	3DJI	0.74
TYL	N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)	A	2DPZ	0.74
ST3	4-(ACETYLAMINO)-3-AMINO BENZOIC ACID	A,B	1IVE	0.73