MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02664575

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
IFB	N-[(2',4'-DIFLUORO-4-HYDROXY-5- IODOBIPHENYL-3-YL)CARBONYL]-BETA- ALANINE	A,B	3FCB	0.75
SCL	ACETIC ACID SALICYLOYL-AMINO-ESTER	A	1EBV	0.8
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
BHA	2-HYDROXY-4-AMINOBENZOIC ACID	A	1PBC	0.73
BHA	2-HYDROXY-4-AMINOBENZOIC ACID	A	1PBF	0.73
BHA	2-HYDROXY-4-AMINOBENZOIC ACID	A	1SXK	0.73
SHA	SALICYLHYDROXAMIC ACID	X	1V0H	0.75
SHA	SALICYLHYDROXAMIC ACID	A	2QPK	0.75
SHA	SALICYLHYDROXAMIC ACID	A	3FNL	0.75
SHA	SALICYLHYDROXAMIC ACID	A	3GCJ	0.75
SHA	SALICYLHYDROXAMIC ACID	A	1CK6	0.75
DBE	bis(4-hydroxyphenyl)methanone	A	2VKU	0.71
3XH	3-Hydroxyhippuric acid	A	3E9K	0.74
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
D4P	(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACID	A	1DSR	0.71
D4P	(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D,E,F, G,H	1W7R	0.71
D4P	(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1W7Q	0.71
DMB		A,B	1SRI	0.7
BJP	(1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID	A	1ERO	0.72
135	N-(4-CARBAMIMIDOYL-PHENYL)-2-HYDROXY- BENZAMIDE	B	1GJA	0.73
3HA	3-HYDROXYANTHRANILIC ACID	A,B	1U1W	0.7
3HA	3-HYDROXYANTHRANILIC ACID	A	1YFY	0.7
G50	3-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)PROPAN- 1-ONE	A,B	2UXI	0.71
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
5PH	5-[5-(1-CARBOXYMETHYL-2-OXO-PROPYLCARBAMOYL)- 5-PHENYL-PENTYLSULFAMOYL]-2-HYDROXY- BENZOIC ACID	A	1RWV	0.72
IYG	N-ALPHA-ACETYL-3,5-DIIODOTYROSYLGLYCINE	A	1OPM	0.7
BD2	3-[(4-HYDROXYBENZOYL)AMINO]AZEPAN- 4-YL 4-(2-HYDROXYBENZOYL)BENZOATE	A	1RE8	0.72
MTY	META-TYROSINE	A	2TOH	0.7
MTY	META-TYROSINE	A,B	1BIQ	0.7
MTY	META-TYROSINE	A	1Q7O	0.7
DB1	2,3-DIHYDROXYBENZAMIDE	A,B,C	1X71	0.72
SDN	[(3S)-9-hydroxy-1-methyl-10-oxo- 4,10-dihydro-3H-benzo[g]isochromen- 3-yl]acetic acid	A,B	3B6C	0.71
TYZ	PARA ACETAMIDO BENZOIC ACID	B,C	2BNI	0.72
TYZ	PARA ACETAMIDO BENZOIC ACID	A	1W5K	0.72
TYZ	PARA ACETAMIDO BENZOIC ACID	A	1W5J	0.72
GRE	2,6-DIHYDROXYBENZOIC ACID	A,B,C,D	2DVU	0.7
PY9	4-{[(2R)-2-(2-methylphenyl)pyrrolidin- 1-yl]carbonyl}benzene-1,3-diol	A,B	3EKR	0.73
AC6	P-HYDROXYACETOPHENONE	A	2GQ8	0.72
AC6	P-HYDROXYACETOPHENONE	X	2O48	0.72
HBD	4-HYDROXYBENZAMIDE	B,C,D	1BEN	0.75
3FL	3-{[(4-{[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin- 4-yl)methyl]amino}butyl)amino]methyl}benzoic acid	A,B	3FCL	0.72
BJI	1(R)-1-ACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID	A	1ERM	0.74
161	5-[4-(1-CARBOXYMETHYL-2-OXO-PROPYLCARBAMOYL)- BENZYLSULFAMOYL]-2-HYDROXY-BENZOIC ACID	A,B	1NMS	0.71
DGH	(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1W7Q	0.71
DGH	(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D,E,F, G,H	1W7R	0.71
SGI	3-(4-hydroxyphenyl)propanamide	A,B	2R9K	0.73
EJ5	4-[3-(2-amino-4-hydroxy-6-oxo-1,6- dihydropyrimidin-5-yl)propyl]benzoic acid	X	3EJ5	0.73
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
OBE	3-(3-HYDROXY-BENZOYLOXY)-8-METHYL- 8-AZA-BICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID	H	1RIV	0.7
HCC	2',4,4'-TRIHYDROXYCHALCONE	D	1FP1	0.72
MHB		A,B	1SRG	0.72
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
GHP	4-HYDROXYPHENYLGLYCINE	A	1DSR	0.71
HAB		A,B	1SRE	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
IFA		A,B	3FC8	0.75
NLT	N-DODECANOYL-L-TYROSINE	A,B,C,D,E,F, G,H	2G0B	0.73
NAT	ETHYL 4-(3-HYDROXYPHENYL)-6-METHYL- 2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE- 5-CARBOXYLATE	A,B	1Q0B	0.7
NAT	ETHYL 4-(3-HYDROXYPHENYL)-6-METHYL- 2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE- 5-CARBOXYLATE	A,B	1X88	0.7
4BA	4-[(2-CARBOXY-ETHYLAMINO)-METHYL]- BENZOIC ACID	C	1FAV	0.71
BJH	1(R)-1-ACETAMIDO-2-(3-CARBOXY-2- HYDROXYPHENYL)ETHYL BORONIC ACID	A	1ERQ	0.81
BFS	N-[1-(4-BROMOPHENYL)ETHYL]-5-FLUORO SALICYLAMIDE	A	1STD	0.73
BFS	N-[1-(4-BROMOPHENYL)ETHYL]-5-FLUORO SALICYLAMIDE	A,B,C	4STD	0.73
DBS	2-(2,3-DIHYDROXY-BENZOYLAMINO)- 3-HYDROXY-PROPIONIC ACID	A,B,C	1L6M	0.73
DBS	2-(2,3-DIHYDROXY-BENZOYLAMINO)- 3-HYDROXY-PROPIONIC ACID	A,B,C	3CBC	0.73
DBS	2-(2,3-DIHYDROXY-BENZOYLAMINO)- 3-HYDROXY-PROPIONIC ACID	A,B,C	3BY0	0.73