MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01754870

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
JUG	5-hydroxynaphthalene-1,4-dione	A,B,C,D,E,F	3B7J	0.71
GHP	4-HYDROXYPHENYLGLYCINE	A	1DSR	0.73
247	(3R)-3-amino-2,2-difluoro-3-(4- hydroxyphenyl)propanoic acid	A,B	2QVE	0.71
DBE	bis(4-hydroxyphenyl)methanone	A	2VKU	0.71
3HB	3-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCB	0.7
3HB	3-HYDROXYBENZOIC ACID	A	2DKH	0.7
DBS	2-(2,3-DIHYDROXY-BENZOYLAMINO)- 3-HYDROXY-PROPIONIC ACID	A,B,C	1L6M	0.71
DBS	2-(2,3-DIHYDROXY-BENZOYLAMINO)- 3-HYDROXY-PROPIONIC ACID	A,B,C	3CBC	0.71
DBS	2-(2,3-DIHYDROXY-BENZOYLAMINO)- 3-HYDROXY-PROPIONIC ACID	A,B,C	3BY0	0.71
HBD	4-HYDROXYBENZAMIDE	B,C,D	1BEN	0.82
BJH	1(R)-1-ACETAMIDO-2-(3-CARBOXY-2- HYDROXYPHENYL)ETHYL BORONIC ACID	A	1ERQ	0.73
BHA	2-HYDROXY-4-AMINOBENZOIC ACID	A	1PBC	0.74
BHA	2-HYDROXY-4-AMINOBENZOIC ACID	A	1PBF	0.74
BHA	2-HYDROXY-4-AMINOBENZOIC ACID	A	1SXK	0.74
4HL	4-(HYDRAZINOMETHYL)PHENOL	A,B	2E2U	0.75
135	N-(4-CARBAMIMIDOYL-PHENYL)-2-HYDROXY- BENZAMIDE	B	1GJA	0.73
4BE	4-bromo-N'-[(1E)-(3,5-dibromo-2,4- dihydroxyphenyl)methylidene]benzohydrazide	A,B,C,D,E,F	3DP2	0.71
IFB	N-[(2',4'-DIFLUORO-4-HYDROXY-5- IODOBIPHENYL-3-YL)CARBONYL]-BETA- ALANINE	A,B	3FCB	0.7
SAL	2-HYDROXYBENZOIC ACID	A	2I2Z	0.75
SAL	2-HYDROXYBENZOIC ACID	A,B,C	1FIQ	0.75
SAL	2-HYDROXYBENZOIC ACID	A	2I30	0.75
SAL	2-HYDROXYBENZOIC ACID	A,B	1PTH	0.75
SAL	2-HYDROXYBENZOIC ACID	A,B	3DEU	0.75
SAL	2-HYDROXYBENZOIC ACID	A,B,C,D	2E1Q	0.75
SAL	2-HYDROXYBENZOIC ACID	A,B	3HGX	0.75
SAL	2-HYDROXYBENZOIC ACID	A,B	3BPX	0.75
SAL	2-HYDROXYBENZOIC ACID	A	1WYG	0.75
SAL	2-HYDROXYBENZOIC ACID	A	1JGS	0.75
SAL	2-HYDROXYBENZOIC ACID	X	1M6E	0.75
SAL	2-HYDROXYBENZOIC ACID	A	3B9M	0.75
SAL	2-HYDROXYBENZOIC ACID	A,B	1FO4	0.75
SAL	2-HYDROXYBENZOIC ACID	A,B	1Y7I	0.75
SAL	2-HYDROXYBENZOIC ACID	A,B	2FN1	0.75
HAB		A,B	1SRE	0.72
3XH	3-Hydroxyhippuric acid	A	3E9K	0.72
DGH	(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1W7Q	0.73
DGH	(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D,E,F, G,H	1W7R	0.73
DOB	2,4-DIHYDROXYBENZOIC ACID	A	1DOD	0.7
DOB	2,4-DIHYDROXYBENZOIC ACID	A	1DOE	0.7
DOB	2,4-DIHYDROXYBENZOIC ACID	A	1PBB	0.7
MHB		A,B	1SRG	0.71
HCC	2',4,4'-TRIHYDROXYCHALCONE	D	1FP1	0.71
3BE	3-bromo-N'-[(1E)-(3,5-dibromo-2,4- dihydroxyphenyl)methylidene]benzohydrazide	A,B,C,D,E,F	3DOZ	0.71
AC6	P-HYDROXYACETOPHENONE	A	2GQ8	0.72
AC6	P-HYDROXYACETOPHENONE	X	2O48	0.72
SCL	ACETIC ACID SALICYLOYL-AMINO-ESTER	A	1EBV	0.85
TYC	L-TYROSINAMIDE	A	2BF9	0.74
TYC	L-TYROSINAMIDE	A	2OCI	0.74
BFS	N-[1-(4-BROMOPHENYL)ETHYL]-5-FLUORO SALICYLAMIDE	A	1STD	0.72
BFS	N-[1-(4-BROMOPHENYL)ETHYL]-5-FLUORO SALICYLAMIDE	A,B,C	4STD	0.72
DIU	2-HYDROXY-3,5-DIIODO-BENZOIC ACID	A,B	3B56	0.71
DIU	2-HYDROXY-3,5-DIIODO-BENZOIC ACID	A	2BXL	0.71
DTY	D-TYROSINE	A	1C4B	0.7
DTY	D-TYROSINE	A,L	1ZEA	0.7
DTY	D-TYROSINE	A,B,C,D,E,F, G,H	1OF6	0.7
DTY	D-TYROSINE	A,B	1UNO	0.7
DTY	D-TYROSINE	A	2IGZ	0.7
DTY	D-TYROSINE	A,B,C,H,K,L	2R5D	0.7
DTY	D-TYROSINE	A,B	2Q33	0.7
DTY	D-TYROSINE	H,S	2H9E	0.7
DTY	D-TYROSINE	A,B,C,H,K,L	2R5B	0.7
DTY	D-TYROSINE	A	2IH0	0.7
DTY	D-TYROSINE	A	1D7T	0.7
DTY	D-TYROSINE	A,B	1XA0	0.7
TYB	TYROSINAL	A,B	1KDZ	0.7
TYB	TYROSINAL	A	1Q11	0.7
TYB	TYROSINAL	A,B	2J5B	0.7
TYB	TYROSINAL	A,I	1GA4	0.7
TYB	TYROSINAL	A,B,C	1NLU	0.7
TYB	TYROSINAL	A,B	1KE1	0.7
TYB	TYROSINAL	A,B	1H3F	0.7
TYB	TYROSINAL	A,B	1H3E	0.7
DB1	2,3-DIHYDROXYBENZAMIDE	A,B,C	1X71	0.83
1BA	4-HYDROXY-N'-(4-ISOPROPYLBENZYL)BENZOHYDRAZIDE	A	2GPP	0.81
142	CARBIDOPA	A,B	1JS3	0.71
3HA	3-HYDROXYANTHRANILIC ACID	A,B	1U1W	0.71
3HA	3-HYDROXYANTHRANILIC ACID	A	1YFY	0.71
B3Y	(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACID	A	3HF0	0.71
B3Y	(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACID	A	2OXK	0.71
B3Y	(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACID	A,B,C	2OXJ	0.71
SGI	3-(4-hydroxyphenyl)propanamide	A,B	2R9K	0.77
D4P	(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACID	A	1DSR	0.73
D4P	(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D,E,F, G,H	1W7R	0.73
D4P	(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1W7Q	0.73
3MB	3-METHOXYBENZAMIDE	A	3PAX	0.73
SHA	SALICYLHYDROXAMIC ACID	X	1V0H	0.87
SHA	SALICYLHYDROXAMIC ACID	A	2QPK	0.87
SHA	SALICYLHYDROXAMIC ACID	A	3FNL	0.87
SHA	SALICYLHYDROXAMIC ACID	A	3GCJ	0.87
SHA	SALICYLHYDROXAMIC ACID	A	1CK6	0.87
GRE	2,6-DIHYDROXYBENZOIC ACID	A,B,C,D	2DVU	0.71
ECA	N,N',N''-[BENZENE-1,3,5-TRIYLTRIS(METHYLENE)]TRIS(2,3- DIHYDROXYBENZAMIDE)	A,B	2CHU	0.71
23A	2,3-DIHYDROXYBENZALDEHYDE	A,B,C,D	2DVX	0.71