MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00287330

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
OHP	(2-HYDROXYPHENYL)ACETIC ACID	A	2INZ	0.71
GHP	4-HYDROXYPHENYLGLYCINE	A	1DSR	0.73
HAB		A,B	1SRE	0.73
BHA	2-HYDROXY-4-AMINOBENZOIC ACID	A	1PBC	0.75
BHA	2-HYDROXY-4-AMINOBENZOIC ACID	A	1PBF	0.75
BHA	2-HYDROXY-4-AMINOBENZOIC ACID	A	1SXK	0.75
3HA	3-HYDROXYANTHRANILIC ACID	A,B	1U1W	0.73
3HA	3-HYDROXYANTHRANILIC ACID	A	1YFY	0.73
135	N-(4-CARBAMIMIDOYL-PHENYL)-2-HYDROXY- BENZAMIDE	B	1GJA	0.7
3HB	3-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCB	0.72
3HB	3-HYDROXYBENZOIC ACID	A	2DKH	0.72
1BA	4-HYDROXY-N'-(4-ISOPROPYLBENZYL)BENZOHYDRAZIDE	A	2GPP	0.77
IFB	N-[(2',4'-DIFLUORO-4-HYDROXY-5- IODOBIPHENYL-3-YL)CARBONYL]-BETA- ALANINE	A,B	3FCB	0.73
GRE	2,6-DIHYDROXYBENZOIC ACID	A,B,C,D	2DVU	0.73
GAB	3-AMINOBENZOIC ACID	A,B,C,D,E,F	2PQF	0.71
GAB	3-AMINOBENZOIC ACID	A,B	3GSB	0.71
GAB	3-AMINOBENZOIC ACID	A,B,C	1GBN	0.71
GAB	3-AMINOBENZOIC ACID	A	3FHB	0.71
MCG	(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINE	A,B	1ISS	0.72
161	5-[4-(1-CARBOXYMETHYL-2-OXO-PROPYLCARBAMOYL)- BENZYLSULFAMOYL]-2-HYDROXY-BENZOIC ACID	A,B	1NMS	0.7
142	CARBIDOPA	A,B	1JS3	0.74
159	2-HYDROXY-5-(2-MERCAPTO-ETHYLSULFAMOYL)- BENZOIC ACID	A,B	1NME	0.71
ECA	N,N',N''-[BENZENE-1,3,5-TRIYLTRIS(METHYLENE)]TRIS(2,3- DIHYDROXYBENZAMIDE)	A,B	2CHU	0.72
DOB	2,4-DIHYDROXYBENZOIC ACID	A	1DOD	0.72
DOB	2,4-DIHYDROXYBENZOIC ACID	A	1DOE	0.72
DOB	2,4-DIHYDROXYBENZOIC ACID	A	1PBB	0.72
SCL	ACETIC ACID SALICYLOYL-AMINO-ESTER	A	1EBV	0.87
4BA	4-[(2-CARBOXY-ETHYLAMINO)-METHYL]- BENZOIC ACID	C	1FAV	0.72
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
BJH	1(R)-1-ACETAMIDO-2-(3-CARBOXY-2- HYDROXYPHENYL)ETHYL BORONIC ACID	A	1ERQ	0.78
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
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
D3P	(2R)-AMINO(3,5-DIHYDROXYPHENYL)ACETIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1W7Q	0.7
D3P	(2R)-AMINO(3,5-DIHYDROXYPHENYL)ACETIC ACID	A,B,C,D,E,F, G,H	1W7R	0.7
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
SHA	SALICYLHYDROXAMIC ACID	X	1V0H	0.83
SHA	SALICYLHYDROXAMIC ACID	A	2QPK	0.83
SHA	SALICYLHYDROXAMIC ACID	A	3FNL	0.83
SHA	SALICYLHYDROXAMIC ACID	A	3GCJ	0.83
SHA	SALICYLHYDROXAMIC ACID	A	1CK6	0.83
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
IFA		A,B	3FC8	0.72
SGI	3-(4-hydroxyphenyl)propanamide	A,B	2R9K	0.74
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
MHB		A,B	1SRG	0.73
DB1	2,3-DIHYDROXYBENZAMIDE	A,B,C	1X71	0.82
247	(3R)-3-amino-2,2-difluoro-3-(4- hydroxyphenyl)propanoic acid	A,B	2QVE	0.72
BFS	N-[1-(4-BROMOPHENYL)ETHYL]-5-FLUORO SALICYLAMIDE	A	1STD	0.7
BFS	N-[1-(4-BROMOPHENYL)ETHYL]-5-FLUORO SALICYLAMIDE	A,B,C	4STD	0.7
DMB		A,B	1SRI	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1CJ4	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1DOB	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1PXB	0.7
PHB	P-HYDROXYBENZOIC ACID	A,B	1G1B	0.7
PHB	P-HYDROXYBENZOIC ACID	A,B	1YKJ	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1IUV	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1PBE	0.7
PHB	P-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCC	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1PDH	0.7
PHB	P-HYDROXYBENZOIC ACID	B	2BUW	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1CC4	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1CC6	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1IUW	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1FW9	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1G81	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1BGJ	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1IUX	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1CJ3	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1D7L	0.7
PHB	P-HYDROXYBENZOIC ACID	A	2PHH	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1BGN	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1PXA	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1DOC	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1K0I	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1BKW	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1JD3	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1PXC	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1TT8	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1CJ2	0.7
PHB	P-HYDROXYBENZOIC ACID	A,B	1Q4S	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1BF3	0.7
PHB	P-HYDROXYBENZOIC ACID	B	2BUR	0.7
TYC	L-TYROSINAMIDE	A	2BF9	0.72
TYC	L-TYROSINAMIDE	A	2OCI	0.72
HBD	4-HYDROXYBENZAMIDE	B,C,D	1BEN	0.78
3XH	3-Hydroxyhippuric acid	A	3E9K	0.76
MTY	META-TYROSINE	A	2TOH	0.71
MTY	META-TYROSINE	A,B	1BIQ	0.71
MTY	META-TYROSINE	A	1Q7O	0.71
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
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
DBH	2,3-DIHYDROXY-BENZOIC ACID	A,B,C	3CMP	0.72
DBH	2,3-DIHYDROXY-BENZOIC ACID	A	1MD9	0.72
DBH	2,3-DIHYDROXY-BENZOIC ACID	A	1MDB	0.72
DBH	2,3-DIHYDROXY-BENZOIC ACID	A,B,C	1L6M	0.72
DBH	2,3-DIHYDROXY-BENZOIC ACID	A,B,C	3BY0	0.72
DBS	2-(2,3-DIHYDROXY-BENZOYLAMINO)- 3-HYDROXY-PROPIONIC ACID	A,B,C	1L6M	0.75
DBS	2-(2,3-DIHYDROXY-BENZOYLAMINO)- 3-HYDROXY-PROPIONIC ACID	A,B,C	3CBC	0.75
DBS	2-(2,3-DIHYDROXY-BENZOYLAMINO)- 3-HYDROXY-PROPIONIC ACID	A,B,C	3BY0	0.75
3MB	3-METHOXYBENZAMIDE	A	3PAX	0.73
4HL	4-(HYDRAZINOMETHYL)PHENOL	A,B	2E2U	0.71
4A3	4-AMINO-3-HYDROXYBENZOIC ACID	A,B	2HDR	0.71