MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02420018

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
ECA	N,N',N''-[BENZENE-1,3,5-TRIYLTRIS(METHYLENE)]TRIS(2,3- DIHYDROXYBENZAMIDE)	A,B	2CHU	0.74
OHP	(2-HYDROXYPHENYL)ACETIC ACID	A	2INZ	0.71
AC6	P-HYDROXYACETOPHENONE	A	2GQ8	0.75
AC6	P-HYDROXYACETOPHENONE	X	2O48	0.75
SAL	2-HYDROXYBENZOIC ACID	A	2I2Z	0.77
SAL	2-HYDROXYBENZOIC ACID	A,B,C	1FIQ	0.77
SAL	2-HYDROXYBENZOIC ACID	A	2I30	0.77
SAL	2-HYDROXYBENZOIC ACID	A,B	1PTH	0.77
SAL	2-HYDROXYBENZOIC ACID	A,B	3DEU	0.77
SAL	2-HYDROXYBENZOIC ACID	A,B,C,D	2E1Q	0.77
SAL	2-HYDROXYBENZOIC ACID	A,B	3HGX	0.77
SAL	2-HYDROXYBENZOIC ACID	A,B	3BPX	0.77
SAL	2-HYDROXYBENZOIC ACID	A	1WYG	0.77
SAL	2-HYDROXYBENZOIC ACID	A	1JGS	0.77
SAL	2-HYDROXYBENZOIC ACID	X	1M6E	0.77
SAL	2-HYDROXYBENZOIC ACID	A	3B9M	0.77
SAL	2-HYDROXYBENZOIC ACID	A,B	1FO4	0.77
SAL	2-HYDROXYBENZOIC ACID	A,B	1Y7I	0.77
SAL	2-HYDROXYBENZOIC ACID	A,B	2FN1	0.77
3HA	3-HYDROXYANTHRANILIC ACID	A,B	1U1W	0.73
3HA	3-HYDROXYANTHRANILIC ACID	A	1YFY	0.73
BIK	3,7-DIHYDROXY-2-NAPHTHOIC ACID	A	1U5A	0.71
BIK	3,7-DIHYDROXY-2-NAPHTHOIC ACID	A	1U5C	0.71
FHB	3-FLUORO-4-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCF	0.7
GHP	4-HYDROXYPHENYLGLYCINE	A	1DSR	0.75
3HB	3-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCB	0.72
3HB	3-HYDROXYBENZOIC ACID	A	2DKH	0.72
GRE	2,6-DIHYDROXYBENZOIC ACID	A,B,C,D	2DVU	0.73
3XH	3-Hydroxyhippuric acid	A	3E9K	0.74
23A	2,3-DIHYDROXYBENZALDEHYDE	A,B,C,D	2DVX	0.73
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
201	3-AMIDO-5-BIPHENYL-BENZOIC ACID	A	2B0M	0.74
PSN	BENZYL 2-FORMYLPHENYL HYDROGEN PHOSPHATE	A	1O4K	0.7
HPP	HYDROXYPHENYL PROPIONIC ACID	A,B	2TPL	0.7
HPP	HYDROXYPHENYL PROPIONIC ACID	A,B,C,D	3GGP	0.7
AEH	4-(2-aminoethyl)-2-ethylphenol	A	3BUG	0.73
135	N-(4-CARBAMIMIDOYL-PHENYL)-2-HYDROXY- BENZAMIDE	B	1GJA	0.73
MN7	1-CARBOXY-4-ISOBUTYLAMINOMETHYLBENZENE	N	1NLO	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
SGI	3-(4-hydroxyphenyl)propanamide	A,B	2R9K	0.79
4BA	4-[(2-CARBOXY-ETHYLAMINO)-METHYL]- BENZOIC ACID	C	1FAV	0.72
DB1	2,3-DIHYDROXYBENZAMIDE	A,B,C	1X71	0.86
MTY	META-TYROSINE	A	2TOH	0.7
MTY	META-TYROSINE	A,B	1BIQ	0.7
MTY	META-TYROSINE	A	1Q7O	0.7
1FL	5-(2,4-DIFLUOROPHENYL)-2-HYDROXY- BENZOIC ACID	A,B	2BXE	0.73
1FL	5-(2,4-DIFLUOROPHENYL)-2-HYDROXY- BENZOIC ACID	A,B	3D2T	0.73
DBH	2,3-DIHYDROXY-BENZOIC ACID	A,B,C	3CMP	0.71
DBH	2,3-DIHYDROXY-BENZOIC ACID	A	1MD9	0.71
DBH	2,3-DIHYDROXY-BENZOIC ACID	A	1MDB	0.71
DBH	2,3-DIHYDROXY-BENZOIC ACID	A,B,C	1L6M	0.71
DBH	2,3-DIHYDROXY-BENZOIC ACID	A,B,C	3BY0	0.71
MCG	(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINE	A,B	1ISS	0.75
OAC	TRANS-O-HYDROXY-ALPHA-METHYL CINNAMATE	C	3GCH	0.7
SCL	ACETIC ACID SALICYLOYL-AMINO-ESTER	A	1EBV	0.94
YOF	3-FLUOROTYROSINE	A,B	1XIL	0.7
YOF	3-FLUOROTYROSINE	A,B	1XDC	0.7
YOF	3-FLUOROTYROSINE	A	1RRX	0.7
YOF	3-FLUOROTYROSINE	A,B	3FYG	0.7
HAB		A,B	1SRE	0.72
AIN	2-(ACETYLOXY)BENZOIC ACID	A	3GCL	0.71
AIN	2-(ACETYLOXY)BENZOIC ACID	A	2QQT	0.71
AIN	2-(ACETYLOXY)BENZOIC ACID	A	1TGM	0.71
AIN	2-(ACETYLOXY)BENZOIC ACID	A	2G5J	0.71
AIN	2-(ACETYLOXY)BENZOIC ACID	A	1OXR	0.71
AIN	2-(ACETYLOXY)BENZOIC ACID	A	3HWY	0.71
1BA	4-HYDROXY-N'-(4-ISOPROPYLBENZYL)BENZOHYDRAZIDE	A	2GPP	0.75
BHO	BENZHYDROXAMIC ACID	A,B	1GX2	0.72
BHO	BENZHYDROXAMIC ACID	A	1HSR	0.72
BHO	BENZHYDROXAMIC ACID	A,B	2ATJ	0.72
BHO	BENZHYDROXAMIC ACID	A,B	4ATJ	0.72
BHO	BENZHYDROXAMIC ACID	A,B	3ATJ	0.72
BHO	BENZHYDROXAMIC ACID	A	3GCK	0.72
BHO	BENZHYDROXAMIC ACID	A,B,C,D,E,F, G,H	2BOY	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
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
IHB	3-IODO-4-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCI	0.7
DMB		A,B	1SRI	0.75
SHA	SALICYLHYDROXAMIC ACID	X	1V0H	0.95
SHA	SALICYLHYDROXAMIC ACID	A	2QPK	0.95
SHA	SALICYLHYDROXAMIC ACID	A	3FNL	0.95
SHA	SALICYLHYDROXAMIC ACID	A	3GCJ	0.95
SHA	SALICYLHYDROXAMIC ACID	A	1CK6	0.95
2HC	(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACID	A,B	1V5Z	0.71
PY9	4-{[(2R)-2-(2-methylphenyl)pyrrolidin- 1-yl]carbonyl}benzene-1,3-diol	A,B	3EKR	0.73
3MB	3-METHOXYBENZAMIDE	A	3PAX	0.77
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
FHI		A,B	1Y1D	0.72
BJI	1(R)-1-ACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID	A	1ERM	0.73
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
BVA	TRIHYDROXY[(N-HYDROXYBENZAMIDATO)OXO]VANADATE	B,C	2P8O	0.71
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
G50	3-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)PROPAN- 1-ONE	A,B	2UXI	0.73
MTB		A,B	1SRF	0.71
ZHZ	2-(4-METHOXYPHENYL)ACETAMIDE	D,H	2HKR	0.71
NBF	[(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACID	A	1NY0	0.7
NBF	[(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACID	A,B	1YMS	0.7
4HP	4-HYDROXYPHENYLACETATE	A,B,C,D	2JBT	0.71
4HP	4-HYDROXYPHENYLACETATE	A	2YYJ	0.71
4HP	4-HYDROXYPHENYLACETATE	A	2YYM	0.71
4HP	4-HYDROXYPHENYLACETATE	B	1AI6	0.71
4HP	4-HYDROXYPHENYLACETATE	M,N,O,P,Q,R	3PCG	0.71
MHB		A,B	1SRG	0.73
HBD	4-HYDROXYBENZAMIDE	B,C,D	1BEN	0.84
MPB	4-HYDROXY-BENZOIC ACID METHYL ESTER	B,C,D	2VK0	0.71
MPB	4-HYDROXY-BENZOIC ACID METHYL ESTER	A,B,D	3MTH	0.71
HCC	2',4,4'-TRIHYDROXYCHALCONE	D	1FP1	0.73
299	2,6-DIFORMYL-4-METHYLPHENYL DIHYDROGEN PHOSPHATE	A	1O4E	0.73
TYC	L-TYROSINAMIDE	A	2BF9	0.75
TYC	L-TYROSINAMIDE	A	2OCI	0.75
BHA	2-HYDROXY-4-AMINOBENZOIC ACID	A	1PBC	0.76
BHA	2-HYDROXY-4-AMINOBENZOIC ACID	A	1PBF	0.76
BHA	2-HYDROXY-4-AMINOBENZOIC ACID	A	1SXK	0.76
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
JUG	5-hydroxynaphthalene-1,4-dione	A,B,C,D,E,F	3B7J	0.73
4MA	4-METHYLBENZOIC ACID	A,H	2HRG	0.7
DBE	bis(4-hydroxyphenyl)methanone	A	2VKU	0.74
IFA		A,B	3FC8	0.75
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
BJH	1(R)-1-ACETAMIDO-2-(3-CARBOXY-2- HYDROXYPHENYL)ETHYL BORONIC ACID	A	1ERQ	0.81
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
IYR	3-IODO-TYROSINE	A	2D98	0.7
IYR	3-IODO-TYROSINE	A	2D8P	0.7
IYR	3-IODO-TYROSINE	A,B	3GFD	0.7
IYR	3-IODO-TYROSINE	A	2R1Q	0.7
IYR	3-IODO-TYROSINE	A	2ZP1	0.7
IYR	3-IODO-TYROSINE	A,B,C,D	2ZXV	0.7
IYR	3-IODO-TYROSINE	C	1CF0	0.7
IYR	3-IODO-TYROSINE	A	1XXZ	0.7
IYR	3-IODO-TYROSINE	A	2D97	0.7
IYR	3-IODO-TYROSINE	A	1XY9	0.7
IYR	3-IODO-TYROSINE	A	2Z10	0.7
IYR	3-IODO-TYROSINE	A	1WQ3	0.7
IYR	3-IODO-TYROSINE	A	2D8O	0.7
IYR	3-IODO-TYROSINE	A	2D8W	0.7
IYR	3-IODO-TYROSINE	A	2Z11	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1CJ4	0.72
PHB	P-HYDROXYBENZOIC ACID	A	1DOB	0.72
PHB	P-HYDROXYBENZOIC ACID	A	1PXB	0.72
PHB	P-HYDROXYBENZOIC ACID	A,B	1G1B	0.72
PHB	P-HYDROXYBENZOIC ACID	A,B	1YKJ	0.72
PHB	P-HYDROXYBENZOIC ACID	A	1IUV	0.72
PHB	P-HYDROXYBENZOIC ACID	A	1PBE	0.72
PHB	P-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCC	0.72
PHB	P-HYDROXYBENZOIC ACID	A	1PDH	0.72
PHB	P-HYDROXYBENZOIC ACID	B	2BUW	0.72
PHB	P-HYDROXYBENZOIC ACID	A	1CC4	0.72
PHB	P-HYDROXYBENZOIC ACID	A	1CC6	0.72
PHB	P-HYDROXYBENZOIC ACID	A	1IUW	0.72
PHB	P-HYDROXYBENZOIC ACID	A	1FW9	0.72
PHB	P-HYDROXYBENZOIC ACID	A	1G81	0.72
PHB	P-HYDROXYBENZOIC ACID	A	1BGJ	0.72
PHB	P-HYDROXYBENZOIC ACID	A	1IUX	0.72
PHB	P-HYDROXYBENZOIC ACID	A	1CJ3	0.72
PHB	P-HYDROXYBENZOIC ACID	A	1D7L	0.72
PHB	P-HYDROXYBENZOIC ACID	A	2PHH	0.72
PHB	P-HYDROXYBENZOIC ACID	A	1BGN	0.72
PHB	P-HYDROXYBENZOIC ACID	A	1PXA	0.72
PHB	P-HYDROXYBENZOIC ACID	A	1DOC	0.72
PHB	P-HYDROXYBENZOIC ACID	A	1K0I	0.72
PHB	P-HYDROXYBENZOIC ACID	A	1BKW	0.72
PHB	P-HYDROXYBENZOIC ACID	A	1JD3	0.72
PHB	P-HYDROXYBENZOIC ACID	A	1PXC	0.72
PHB	P-HYDROXYBENZOIC ACID	A	1TT8	0.72
PHB	P-HYDROXYBENZOIC ACID	A	1CJ2	0.72
PHB	P-HYDROXYBENZOIC ACID	A,B	1Q4S	0.72
PHB	P-HYDROXYBENZOIC ACID	A	1BF3	0.72
PHB	P-HYDROXYBENZOIC ACID	B	2BUR	0.72
262	2-FORMYLPHENYL DIHYDROGEN PHOSPHATE	A	1O4D	0.7