MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01987346

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
B3Y	(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACID	A	3HF0	0.73
B3Y	(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACID	A	2OXK	0.73
B3Y	(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACID	A,B,C	2OXJ	0.73
JUG	5-hydroxynaphthalene-1,4-dione	A,B,C,D,E,F	3B7J	0.71
HBD	4-HYDROXYBENZAMIDE	B,C,D	1BEN	0.8
DMB		A,B	1SRI	0.72
YTT	(3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine- 2,5-dione	A	3G5H	0.71
GHP	4-HYDROXYPHENYLGLYCINE	A	1DSR	0.75
HAB		A,B	1SRE	0.74
3XH	3-Hydroxyhippuric acid	A	3E9K	0.74
161	5-[4-(1-CARBOXYMETHYL-2-OXO-PROPYLCARBAMOYL)- BENZYLSULFAMOYL]-2-HYDROXY-BENZOIC ACID	A,B	1NMS	0.7
SHA	SALICYLHYDROXAMIC ACID	X	1V0H	0.85
SHA	SALICYLHYDROXAMIC ACID	A	2QPK	0.85
SHA	SALICYLHYDROXAMIC ACID	A	3FNL	0.85
SHA	SALICYLHYDROXAMIC ACID	A	3GCJ	0.85
SHA	SALICYLHYDROXAMIC ACID	A	1CK6	0.85
SCL	ACETIC ACID SALICYLOYL-AMINO-ESTER	A	1EBV	0.83
PSN	BENZYL 2-FORMYLPHENYL HYDROGEN PHOSPHATE	A	1O4K	0.7
AC6	P-HYDROXYACETOPHENONE	A	2GQ8	0.7
AC6	P-HYDROXYACETOPHENONE	X	2O48	0.7
201	3-AMIDO-5-BIPHENYL-BENZOIC ACID	A	2B0M	0.7
4HL	4-(HYDRAZINOMETHYL)PHENOL	A,B	2E2U	0.77
2BE	4-chloro-N'-[(1E)-(3,5-dibromo- 2,4-dihydroxyphenyl)methylidene]benzohydrazide	A,B,C,D,E,F	3DOY	0.71
135	N-(4-CARBAMIMIDOYL-PHENYL)-2-HYDROXY- BENZAMIDE	B	1GJA	0.74
TYC	L-TYROSINAMIDE	A	2BF9	0.76
TYC	L-TYROSINAMIDE	A	2OCI	0.76
DGH	(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1W7Q	0.75
DGH	(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D,E,F, G,H	1W7R	0.75
IYR	3-IODO-TYROSINE	A	2D98	0.71
IYR	3-IODO-TYROSINE	A	2D8P	0.71
IYR	3-IODO-TYROSINE	A,B	3GFD	0.71
IYR	3-IODO-TYROSINE	A	2R1Q	0.71
IYR	3-IODO-TYROSINE	A	2ZP1	0.71
IYR	3-IODO-TYROSINE	A,B,C,D	2ZXV	0.71
IYR	3-IODO-TYROSINE	C	1CF0	0.71
IYR	3-IODO-TYROSINE	A	1XXZ	0.71
IYR	3-IODO-TYROSINE	A	2D97	0.71
IYR	3-IODO-TYROSINE	A	1XY9	0.71
IYR	3-IODO-TYROSINE	A	2Z10	0.71
IYR	3-IODO-TYROSINE	A	1WQ3	0.71
IYR	3-IODO-TYROSINE	A	2D8O	0.71
IYR	3-IODO-TYROSINE	A	2D8W	0.71
IYR	3-IODO-TYROSINE	A	2Z11	0.71
BJP	(1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID	A	1ERO	0.7
SAL	2-HYDROXYBENZOIC ACID	A	2I2Z	0.73
SAL	2-HYDROXYBENZOIC ACID	A,B,C	1FIQ	0.73
SAL	2-HYDROXYBENZOIC ACID	A	2I30	0.73
SAL	2-HYDROXYBENZOIC ACID	A,B	1PTH	0.73
SAL	2-HYDROXYBENZOIC ACID	A,B	3DEU	0.73
SAL	2-HYDROXYBENZOIC ACID	A,B,C,D	2E1Q	0.73
SAL	2-HYDROXYBENZOIC ACID	A,B	3HGX	0.73
SAL	2-HYDROXYBENZOIC ACID	A,B	3BPX	0.73
SAL	2-HYDROXYBENZOIC ACID	A	1WYG	0.73
SAL	2-HYDROXYBENZOIC ACID	A	1JGS	0.73
SAL	2-HYDROXYBENZOIC ACID	X	1M6E	0.73
SAL	2-HYDROXYBENZOIC ACID	A	3B9M	0.73
SAL	2-HYDROXYBENZOIC ACID	A,B	1FO4	0.73
SAL	2-HYDROXYBENZOIC ACID	A,B	1Y7I	0.73
SAL	2-HYDROXYBENZOIC ACID	A,B	2FN1	0.73
PY9	4-{[(2R)-2-(2-methylphenyl)pyrrolidin- 1-yl]carbonyl}benzene-1,3-diol	A,B	3EKR	0.73
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
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	0.71
4BB	4-tert-butyl-N'-[(1E)-(3,5-dibromo- 2,4-dihydroxyphenyl)methylidene]benzohydrazide	A,B,C,D,E,F	3DP3	0.71
3MB	3-METHOXYBENZAMIDE	A	3PAX	0.72
4BE	4-bromo-N'-[(1E)-(3,5-dibromo-2,4- dihydroxyphenyl)methylidene]benzohydrazide	A,B,C,D,E,F	3DP2	0.75
TYB	TYROSINAL	A,B	1KDZ	0.72
TYB	TYROSINAL	A	1Q11	0.72
TYB	TYROSINAL	A,B	2J5B	0.72
TYB	TYROSINAL	A,I	1GA4	0.72
TYB	TYROSINAL	A,B,C	1NLU	0.72
TYB	TYROSINAL	A,B	1KE1	0.72
TYB	TYROSINAL	A,B	1H3F	0.72
TYB	TYROSINAL	A,B	1H3E	0.72
1FL	5-(2,4-DIFLUOROPHENYL)-2-HYDROXY- BENZOIC ACID	A,B	2BXE	0.71
1FL	5-(2,4-DIFLUOROPHENYL)-2-HYDROXY- BENZOIC ACID	A,B	3D2T	0.71
BFS	N-[1-(4-BROMOPHENYL)ETHYL]-5-FLUORO SALICYLAMIDE	A	1STD	0.77
BFS	N-[1-(4-BROMOPHENYL)ETHYL]-5-FLUORO SALICYLAMIDE	A,B,C	4STD	0.77
DTY	D-TYROSINE	A	1C4B	0.72
DTY	D-TYROSINE	A,L	1ZEA	0.72
DTY	D-TYROSINE	A,B,C,D,E,F, G,H	1OF6	0.72
DTY	D-TYROSINE	A,B	1UNO	0.72
DTY	D-TYROSINE	A	2IGZ	0.72
DTY	D-TYROSINE	A,B,C,H,K,L	2R5D	0.72
DTY	D-TYROSINE	A,B	2Q33	0.72
DTY	D-TYROSINE	H,S	2H9E	0.72
DTY	D-TYROSINE	A,B,C,H,K,L	2R5B	0.72
DTY	D-TYROSINE	A	2IH0	0.72
DTY	D-TYROSINE	A	1D7T	0.72
DTY	D-TYROSINE	A,B	1XA0	0.72
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
MHB		A,B	1SRG	0.73
SGI	3-(4-hydroxyphenyl)propanamide	A,B	2R9K	0.75
HCC	2',4,4'-TRIHYDROXYCHALCONE	D	1FP1	0.73
3BE	3-bromo-N'-[(1E)-(3,5-dibromo-2,4- dihydroxyphenyl)methylidene]benzohydrazide	A,B,C,D,E,F	3DOZ	0.75
1BA	4-HYDROXY-N'-(4-ISOPROPYLBENZYL)BENZOHYDRAZIDE	A	2GPP	0.87
DB1	2,3-DIHYDROXYBENZAMIDE	A,B,C	1X71	0.81
247	(3R)-3-amino-2,2-difluoro-3-(4- hydroxyphenyl)propanoic acid	A,B	2QVE	0.73
IFB	N-[(2',4'-DIFLUORO-4-HYDROXY-5- IODOBIPHENYL-3-YL)CARBONYL]-BETA- ALANINE	A,B	3FCB	0.76
IFA		A,B	3FC8	0.74
MTY	META-TYROSINE	A	2TOH	0.71
MTY	META-TYROSINE	A,B	1BIQ	0.71
MTY	META-TYROSINE	A	1Q7O	0.71
MOY	[(4R)-4-(3-HYDROXYPHENYL)-1,6-DIMETHYL- 2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN- 5-YL](PHENYL)METHANONE	A,B	2IEH	0.71
YOF	3-FLUOROTYROSINE	A,B	1XIL	0.71
YOF	3-FLUOROTYROSINE	A,B	1XDC	0.71
YOF	3-FLUOROTYROSINE	A	1RRX	0.71
YOF	3-FLUOROTYROSINE	A,B	3FYG	0.71
BJH	1(R)-1-ACETAMIDO-2-(3-CARBOXY-2- HYDROXYPHENYL)ETHYL BORONIC ACID	A	1ERQ	0.76
DBE	bis(4-hydroxyphenyl)methanone	A	2VKU	0.73
4BA	4-[(2-CARBOXY-ETHYLAMINO)-METHYL]- BENZOIC ACID	C	1FAV	0.71
D4P	(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACID	A	1DSR	0.75
D4P	(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D,E,F, G,H	1W7R	0.75
D4P	(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1W7Q	0.75
ECA	N,N',N''-[BENZENE-1,3,5-TRIYLTRIS(METHYLENE)]TRIS(2,3- DIHYDROXYBENZAMIDE)	A,B	2CHU	0.76
G50	3-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)PROPAN- 1-ONE	A,B	2UXI	0.72