MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01289754

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
EB4	N,N',N''-[(3S,7S,11S)-2,6,10-trioxo- 1,5,9-trioxacyclododecane-3,7,11- triyl]tris(2,3-dihydroxybenzamide)	A,B,C	3CMP	0.7
3XH	3-Hydroxyhippuric acid	A	3E9K	0.73
4BB	4-tert-butyl-N'-[(1E)-(3,5-dibromo- 2,4-dihydroxyphenyl)methylidene]benzohydrazide	A,B,C,D,E,F	3DP3	0.7
HAB		A,B	1SRE	0.73
BJH	1(R)-1-ACETAMIDO-2-(3-CARBOXY-2- HYDROXYPHENYL)ETHYL BORONIC ACID	A	1ERQ	0.74
SAL	2-HYDROXYBENZOIC ACID	A	2I2Z	0.72
SAL	2-HYDROXYBENZOIC ACID	A,B,C	1FIQ	0.72
SAL	2-HYDROXYBENZOIC ACID	A	2I30	0.72
SAL	2-HYDROXYBENZOIC ACID	A,B	1PTH	0.72
SAL	2-HYDROXYBENZOIC ACID	A,B	3DEU	0.72
SAL	2-HYDROXYBENZOIC ACID	A,B,C,D	2E1Q	0.72
SAL	2-HYDROXYBENZOIC ACID	A,B	3HGX	0.72
SAL	2-HYDROXYBENZOIC ACID	A,B	3BPX	0.72
SAL	2-HYDROXYBENZOIC ACID	A	1WYG	0.72
SAL	2-HYDROXYBENZOIC ACID	A	1JGS	0.72
SAL	2-HYDROXYBENZOIC ACID	X	1M6E	0.72
SAL	2-HYDROXYBENZOIC ACID	A	3B9M	0.72
SAL	2-HYDROXYBENZOIC ACID	A,B	1FO4	0.72
SAL	2-HYDROXYBENZOIC ACID	A,B	1Y7I	0.72
SAL	2-HYDROXYBENZOIC ACID	A,B	2FN1	0.72
MTB		A,B	1SRF	0.7
PY9	4-{[(2R)-2-(2-methylphenyl)pyrrolidin- 1-yl]carbonyl}benzene-1,3-diol	A,B	3EKR	0.72
SHA	SALICYLHYDROXAMIC ACID	X	1V0H	0.84
SHA	SALICYLHYDROXAMIC ACID	A	2QPK	0.84
SHA	SALICYLHYDROXAMIC ACID	A	3FNL	0.84
SHA	SALICYLHYDROXAMIC ACID	A	3GCJ	0.84
SHA	SALICYLHYDROXAMIC ACID	A	1CK6	0.84
DBE	bis(4-hydroxyphenyl)methanone	A	2VKU	0.71
GHP	4-HYDROXYPHENYLGLYCINE	A	1DSR	0.74
1BA	4-HYDROXY-N'-(4-ISOPROPYLBENZYL)BENZOHYDRAZIDE	A	2GPP	0.86
DTY	D-TYROSINE	A	1C4B	0.71
DTY	D-TYROSINE	A,L	1ZEA	0.71
DTY	D-TYROSINE	A,B,C,D,E,F, G,H	1OF6	0.71
DTY	D-TYROSINE	A,B	1UNO	0.71
DTY	D-TYROSINE	A	2IGZ	0.71
DTY	D-TYROSINE	A,B,C,H,K,L	2R5D	0.71
DTY	D-TYROSINE	A,B	2Q33	0.71
DTY	D-TYROSINE	H,S	2H9E	0.71
DTY	D-TYROSINE	A,B,C,H,K,L	2R5B	0.71
DTY	D-TYROSINE	A	2IH0	0.71
DTY	D-TYROSINE	A	1D7T	0.71
DTY	D-TYROSINE	A,B	1XA0	0.71
SCL	ACETIC ACID SALICYLOYL-AMINO-ESTER	A	1EBV	0.82
TYB	TYROSINAL	A,B	1KDZ	0.71
TYB	TYROSINAL	A	1Q11	0.71
TYB	TYROSINAL	A,B	2J5B	0.71
TYB	TYROSINAL	A,I	1GA4	0.71
TYB	TYROSINAL	A,B,C	1NLU	0.71
TYB	TYROSINAL	A,B	1KE1	0.71
TYB	TYROSINAL	A,B	1H3F	0.71
TYB	TYROSINAL	A,B	1H3E	0.71
IFB	N-[(2',4'-DIFLUORO-4-HYDROXY-5- IODOBIPHENYL-3-YL)CARBONYL]-BETA- ALANINE	A,B	3FCB	0.74
ECA	N,N',N''-[BENZENE-1,3,5-TRIYLTRIS(METHYLENE)]TRIS(2,3- DIHYDROXYBENZAMIDE)	A,B	2CHU	0.75
3MB	3-METHOXYBENZAMIDE	A	3PAX	0.71
DGH	(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1W7Q	0.74
DGH	(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D,E,F, G,H	1W7R	0.74
135	N-(4-CARBAMIMIDOYL-PHENYL)-2-HYDROXY- BENZAMIDE	B	1GJA	0.73
B3Y	(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACID	A	3HF0	0.72
B3Y	(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACID	A	2OXK	0.72
B3Y	(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACID	A,B,C	2OXJ	0.72
4BA	4-[(2-CARBOXY-ETHYLAMINO)-METHYL]- BENZOIC ACID	C	1FAV	0.7
HCC	2',4,4'-TRIHYDROXYCHALCONE	D	1FP1	0.71
MN7	1-CARBOXY-4-ISOBUTYLAMINOMETHYLBENZENE	N	1NLO	0.7
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
JUG	5-hydroxynaphthalene-1,4-dione	A,B,C,D,E,F	3B7J	0.7
DB1	2,3-DIHYDROXYBENZAMIDE	A,B,C	1X71	0.8
IFA		A,B	3FC8	0.72
SGI	3-(4-hydroxyphenyl)propanamide	A,B	2R9K	0.74
DBS	2-(2,3-DIHYDROXY-BENZOYLAMINO)- 3-HYDROXY-PROPIONIC ACID	A,B,C	1L6M	0.72
DBS	2-(2,3-DIHYDROXY-BENZOYLAMINO)- 3-HYDROXY-PROPIONIC ACID	A,B,C	3CBC	0.72
DBS	2-(2,3-DIHYDROXY-BENZOYLAMINO)- 3-HYDROXY-PROPIONIC ACID	A,B,C	3BY0	0.72
4BE	4-bromo-N'-[(1E)-(3,5-dibromo-2,4- dihydroxyphenyl)methylidene]benzohydrazide	A,B,C,D,E,F	3DP2	0.73
247	(3R)-3-amino-2,2-difluoro-3-(4- hydroxyphenyl)propanoic acid	A,B	2QVE	0.72
3BE	3-bromo-N'-[(1E)-(3,5-dibromo-2,4- dihydroxyphenyl)methylidene]benzohydrazide	A,B,C,D,E,F	3DOZ	0.73
DMB		A,B	1SRI	0.71
TYC	L-TYROSINAMIDE	A	2BF9	0.75
TYC	L-TYROSINAMIDE	A	2OCI	0.75
MHB		A,B	1SRG	0.72
D4P	(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACID	A	1DSR	0.74
D4P	(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D,E,F, G,H	1W7R	0.74
D4P	(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1W7Q	0.74
HBD	4-HYDROXYBENZAMIDE	B,C,D	1BEN	0.78
MOY	[(4R)-4-(3-HYDROXYPHENYL)-1,6-DIMETHYL- 2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN- 5-YL](PHENYL)METHANONE	A,B	2IEH	0.71
BFS	N-[1-(4-BROMOPHENYL)ETHYL]-5-FLUORO SALICYLAMIDE	A	1STD	0.75
BFS	N-[1-(4-BROMOPHENYL)ETHYL]-5-FLUORO SALICYLAMIDE	A,B,C	4STD	0.75
4HL	4-(HYDRAZINOMETHYL)PHENOL	A,B	2E2U	0.76