MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02361980

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
DMB		A,B	1SRI	0.72
161	5-[4-(1-CARBOXYMETHYL-2-OXO-PROPYLCARBAMOYL)- BENZYLSULFAMOYL]-2-HYDROXY-BENZOIC ACID	A,B	1NMS	0.72
HAB		A,B	1SRE	0.73
GRE	2,6-DIHYDROXYBENZOIC ACID	A,B,C,D	2DVU	0.74
MPB	4-HYDROXY-BENZOIC ACID METHYL ESTER	B,C,D	2VK0	0.72
MPB	4-HYDROXY-BENZOIC ACID METHYL ESTER	A,B,D	3MTH	0.72
MCG	(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINE	A,B	1ISS	0.7
MTB		A,B	1SRF	0.7
4HP	4-HYDROXYPHENYLACETATE	A,B,C,D	2JBT	0.72
4HP	4-HYDROXYPHENYLACETATE	A	2YYJ	0.72
4HP	4-HYDROXYPHENYLACETATE	A	2YYM	0.72
4HP	4-HYDROXYPHENYLACETATE	B	1AI6	0.72
4HP	4-HYDROXYPHENYLACETATE	M,N,O,P,Q,R	3PCG	0.72
DOB	2,4-DIHYDROXYBENZOIC ACID	A	1DOD	0.73
DOB	2,4-DIHYDROXYBENZOIC ACID	A	1DOE	0.73
DOB	2,4-DIHYDROXYBENZOIC ACID	A	1PBB	0.73
GHP	4-HYDROXYPHENYLGLYCINE	A	1DSR	0.74
SAL	2-HYDROXYBENZOIC ACID	A	2I2Z	0.78
SAL	2-HYDROXYBENZOIC ACID	A,B,C	1FIQ	0.78
SAL	2-HYDROXYBENZOIC ACID	A	2I30	0.78
SAL	2-HYDROXYBENZOIC ACID	A,B	1PTH	0.78
SAL	2-HYDROXYBENZOIC ACID	A,B	3DEU	0.78
SAL	2-HYDROXYBENZOIC ACID	A,B,C,D	2E1Q	0.78
SAL	2-HYDROXYBENZOIC ACID	A,B	3HGX	0.78
SAL	2-HYDROXYBENZOIC ACID	A,B	3BPX	0.78
SAL	2-HYDROXYBENZOIC ACID	A	1WYG	0.78
SAL	2-HYDROXYBENZOIC ACID	A	1JGS	0.78
SAL	2-HYDROXYBENZOIC ACID	X	1M6E	0.78
SAL	2-HYDROXYBENZOIC ACID	A	3B9M	0.78
SAL	2-HYDROXYBENZOIC ACID	A,B	1FO4	0.78
SAL	2-HYDROXYBENZOIC ACID	A,B	1Y7I	0.78
SAL	2-HYDROXYBENZOIC ACID	A,B	2FN1	0.78
23A	2,3-DIHYDROXYBENZALDEHYDE	A,B,C,D	2DVX	0.73
HBD	4-HYDROXYBENZAMIDE	B,C,D	1BEN	0.82
HBA	P-HYDROXYBENZALDEHYDE	A	1K03	0.72
HBA	P-HYDROXYBENZALDEHYDE	A,B	2VQ5	0.72
HBA	P-HYDROXYBENZALDEHYDE	A,B	1EB9	0.72
HBA	P-HYDROXYBENZALDEHYDE	A	2GQ9	0.72
HBA	P-HYDROXYBENZALDEHYDE	A,B	1Z42	0.72
HBA	P-HYDROXYBENZALDEHYDE	A	1OYB	0.72
1FL	5-(2,4-DIFLUOROPHENYL)-2-HYDROXY- BENZOIC ACID	A,B	2BXE	0.72
1FL	5-(2,4-DIFLUOROPHENYL)-2-HYDROXY- BENZOIC ACID	A,B	3D2T	0.72
K55	(2S)-2-{4-butoxy-3-[({[2-fluoro- 4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]benzyl}butanoic acid	A,B	2ZNP	0.7
MN7	1-CARBOXY-4-ISOBUTYLAMINOMETHYLBENZENE	N	1NLO	0.75
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	0.72
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
4BA	4-[(2-CARBOXY-ETHYLAMINO)-METHYL]- BENZOIC ACID	C	1FAV	0.75
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
ECA	N,N',N''-[BENZENE-1,3,5-TRIYLTRIS(METHYLENE)]TRIS(2,3- DIHYDROXYBENZAMIDE)	A,B	2CHU	0.77
SCL	ACETIC ACID SALICYLOYL-AMINO-ESTER	A	1EBV	0.87
SAF	3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOL	A	1GQR	0.76
SAF	3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOL	A	1GQS	0.76
MOY	[(4R)-4-(3-HYDROXYPHENYL)-1,6-DIMETHYL- 2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN- 5-YL](PHENYL)METHANONE	A,B	2IEH	0.72
4MP	1-(4-METHOXYBENZOYL)-2-PYRROLIDINONE	A,B	2AL5	0.76
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
DIU	2-HYDROXY-3,5-DIIODO-BENZOIC ACID	A,B	3B56	0.74
DIU	2-HYDROXY-3,5-DIIODO-BENZOIC ACID	A	2BXL	0.74
135	N-(4-CARBAMIMIDOYL-PHENYL)-2-HYDROXY- BENZAMIDE	B	1GJA	0.74
1BA	4-HYDROXY-N'-(4-ISOPROPYLBENZYL)BENZOHYDRAZIDE	A	2GPP	0.73
3HB	3-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCB	0.73
3HB	3-HYDROXYBENZOIC ACID	A	2DKH	0.73
MRE	2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACID	A,B	2V9C	0.7
IFB	N-[(2',4'-DIFLUORO-4-HYDROXY-5- IODOBIPHENYL-3-YL)CARBONYL]-BETA- ALANINE	A,B	3FCB	0.77
LOB	LOBELINE	A,B,C,D,E,F, G,H,I,J	2BYS	0.71
2HC	(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACID	A,B	1V5Z	0.71
BFS	N-[1-(4-BROMOPHENYL)ETHYL]-5-FLUORO SALICYLAMIDE	A	1STD	0.8
BFS	N-[1-(4-BROMOPHENYL)ETHYL]-5-FLUORO SALICYLAMIDE	A,B,C	4STD	0.8
262	2-FORMYLPHENYL DIHYDROGEN PHOSPHATE	A	1O4D	0.71
3XH	3-Hydroxyhippuric acid	A	3E9K	0.8
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
MHB		A,B	1SRG	0.74
NLT	N-DODECANOYL-L-TYROSINE	A,B,C,D,E,F, G,H	2G0B	0.72
TYC	L-TYROSINAMIDE	A	2BF9	0.74
TYC	L-TYROSINAMIDE	A	2OCI	0.74
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	0.77
PHB	P-HYDROXYBENZOIC ACID	A	1CJ4	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1DOB	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1PXB	0.73
PHB	P-HYDROXYBENZOIC ACID	A,B	1G1B	0.73
PHB	P-HYDROXYBENZOIC ACID	A,B	1YKJ	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1IUV	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1PBE	0.73
PHB	P-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCC	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1PDH	0.73
PHB	P-HYDROXYBENZOIC ACID	B	2BUW	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1CC4	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1CC6	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1IUW	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1FW9	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1G81	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1BGJ	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1IUX	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1CJ3	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1D7L	0.73
PHB	P-HYDROXYBENZOIC ACID	A	2PHH	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1BGN	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1PXA	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1DOC	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1K0I	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1BKW	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1JD3	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1PXC	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1TT8	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1CJ2	0.73
PHB	P-HYDROXYBENZOIC ACID	A,B	1Q4S	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1BF3	0.73
PHB	P-HYDROXYBENZOIC ACID	B	2BUR	0.73
FHB	3-FLUORO-4-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCF	0.71
401	(2S)-2-{3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]- 4-methoxybenzyl}butanoic acid	A,B	2ZNQ	0.72
C39	N-[(2S,4S,5S,7R)-4-AMINO-8-(BUTYLAMINO)- 5-HYDROXY-7-METHYL-2-(1-METHYLETHYL)- 8-OXOOCTYL]-2-(3-METHOXYPROPOXY)BENZAMIDE	C,O	2V12	0.71
247	(3R)-3-amino-2,2-difluoro-3-(4- hydroxyphenyl)propanoic acid	A,B	2QVE	0.72
BJI	1(R)-1-ACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID	A	1ERM	0.74
HCC	2',4,4'-TRIHYDROXYCHALCONE	D	1FP1	0.73
DBS	2-(2,3-DIHYDROXY-BENZOYLAMINO)- 3-HYDROXY-PROPIONIC ACID	A,B,C	1L6M	0.78
DBS	2-(2,3-DIHYDROXY-BENZOYLAMINO)- 3-HYDROXY-PROPIONIC ACID	A,B,C	3CBC	0.78
DBS	2-(2,3-DIHYDROXY-BENZOYLAMINO)- 3-HYDROXY-PROPIONIC ACID	A,B,C	3BY0	0.78
PY9	4-{[(2R)-2-(2-methylphenyl)pyrrolidin- 1-yl]carbonyl}benzene-1,3-diol	A,B	3EKR	0.81
PSN	BENZYL 2-FORMYLPHENYL HYDROGEN PHOSPHATE	A	1O4K	0.71
219	CYCLOHEXYLMETHYL 2-FORMYLPHENYL HYDROGEN PHOSPHATE	A	1O4I	0.7
DMC	3-(4-DIETHYLAMINO-2-HYDROXY-PHENYL)- 2-METHYL-PROPIONIC ACID	G	4GCH	0.73
HPP	HYDROXYPHENYL PROPIONIC ACID	A,B	2TPL	0.71
HPP	HYDROXYPHENYL PROPIONIC ACID	A,B,C,D	3GGP	0.71
DB1	2,3-DIHYDROXYBENZAMIDE	A,B,C	1X71	0.83
OHP	(2-HYDROXYPHENYL)ACETIC ACID	A	2INZ	0.72
AC6	P-HYDROXYACETOPHENONE	A	2GQ8	0.76
AC6	P-HYDROXYACETOPHENONE	X	2O48	0.76
NBF	[(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACID	A	1NY0	0.73
NBF	[(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACID	A,B	1YMS	0.73
3HA	3-HYDROXYANTHRANILIC ACID	A,B	1U1W	0.71
3HA	3-HYDROXYANTHRANILIC ACID	A	1YFY	0.71
C40	N-[(2R,4S,5S,7R)-4-AMINO-8-(BUTYLAMINO)- 5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL]- 2-(3-METHOXYPROPOXY)BENZAMIDE	A	2V13	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
XP1	4-(DIMETHYLAMINO)BENZOIC ACID	A,B	2VJ1	0.72
XP1	4-(DIMETHYLAMINO)BENZOIC ACID	A	2V6N	0.72
AIN	2-(ACETYLOXY)BENZOIC ACID	A	3GCL	0.72
AIN	2-(ACETYLOXY)BENZOIC ACID	A	2QQT	0.72
AIN	2-(ACETYLOXY)BENZOIC ACID	A	1TGM	0.72
AIN	2-(ACETYLOXY)BENZOIC ACID	A	2G5J	0.72
AIN	2-(ACETYLOXY)BENZOIC ACID	A	1OXR	0.72
AIN	2-(ACETYLOXY)BENZOIC ACID	A	3HWY	0.72
SGI	3-(4-hydroxyphenyl)propanamide	A,B	2R9K	0.77
DBE	bis(4-hydroxyphenyl)methanone	A	2VKU	0.74
DK2	2-[(1R)-1-CARBOXY-2-(4-HYDROXYPHENYL)ETHYL]- 1,3-DIOXOISOINDOLINE-5-CARBOXYLIC ACID	A,B	2PU2	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
3MB	3-METHOXYBENZAMIDE	A	3PAX	0.75
BJH	1(R)-1-ACETAMIDO-2-(3-CARBOXY-2- HYDROXYPHENYL)ETHYL BORONIC ACID	A	1ERQ	0.81
IHB	3-IODO-4-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCI	0.71
BJP	(1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID	A	1ERO	0.71
JUG	5-hydroxynaphthalene-1,4-dione	A,B,C,D,E,F	3B7J	0.74
SHA	SALICYLHYDROXAMIC ACID	X	1V0H	0.88
SHA	SALICYLHYDROXAMIC ACID	A	2QPK	0.88
SHA	SALICYLHYDROXAMIC ACID	A	3FNL	0.88
SHA	SALICYLHYDROXAMIC ACID	A	3GCJ	0.88
SHA	SALICYLHYDROXAMIC ACID	A	1CK6	0.88
G50	3-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)PROPAN- 1-ONE	A,B	2UXI	0.72