MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00003581

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
CHP	3-CHLORO-4-HYDROXYPHENYLGLYCINE	A	1DSR	0.7
FCD	5-(2-CHLOROPHENYL)FURAN-2-CARBOXYLIC ACID	A	1XNZ	0.73
34D	3,5-DIHYDROXYBENZOATE	A,B	2BX7	0.7
DHB	3,4-DIHYDROXYBENZOIC ACID	B	2BV0	0.72
DHB	3,4-DIHYDROXYBENZOIC ACID	A,B,D,F,H,J,L	1YKP	0.72
DHB	3,4-DIHYDROXYBENZOIC ACID	A	1N8Q	0.72
DHB	3,4-DIHYDROXYBENZOIC ACID	A,B	2BSL	0.72
DHB	3,4-DIHYDROXYBENZOIC ACID	B,D,F,H,J,L	1YKL	0.72
DHB	3,4-DIHYDROXYBENZOIC ACID	B,D	1B4U	0.72
DHB	3,4-DIHYDROXYBENZOIC ACID	A	3DX5	0.72
DHB	3,4-DIHYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCA	0.72
DHB	3,4-DIHYDROXYBENZOIC ACID	B,D,F,H,J,L	1YKN	0.72
DHB	3,4-DIHYDROXYBENZOIC ACID	B	1EOB	0.72
DHB	3,4-DIHYDROXYBENZOIC ACID	A	1PHH	0.72
DHB	3,4-DIHYDROXYBENZOIC ACID	B	2BUV	0.72
V55	4-hydroxy-3-methoxybenzaldehyde	B,D,E,F	2VSS	0.71
V55	4-hydroxy-3-methoxybenzaldehyde	A,B,D,E,F	2VSU	0.71
NP5	(5E)-12-CHLORO-13,15-DIHYDROXY- 4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE- 1,10(3H,11H)-DIONE	A	2IWU	0.8
CHB	3-CHLORO-4-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCH	0.88
SAL	2-HYDROXYBENZOIC ACID	A	2I2Z	0.7
SAL	2-HYDROXYBENZOIC ACID	A,B,C	1FIQ	0.7
SAL	2-HYDROXYBENZOIC ACID	A	2I30	0.7
SAL	2-HYDROXYBENZOIC ACID	A,B	1PTH	0.7
SAL	2-HYDROXYBENZOIC ACID	A,B	3DEU	0.7
SAL	2-HYDROXYBENZOIC ACID	A,B,C,D	2E1Q	0.7
SAL	2-HYDROXYBENZOIC ACID	A,B	3HGX	0.7
SAL	2-HYDROXYBENZOIC ACID	A,B	3BPX	0.7
SAL	2-HYDROXYBENZOIC ACID	A	1WYG	0.7
SAL	2-HYDROXYBENZOIC ACID	A	1JGS	0.7
SAL	2-HYDROXYBENZOIC ACID	X	1M6E	0.7
SAL	2-HYDROXYBENZOIC ACID	A	3B9M	0.7
SAL	2-HYDROXYBENZOIC ACID	A,B	1FO4	0.7
SAL	2-HYDROXYBENZOIC ACID	A,B	1Y7I	0.7
SAL	2-HYDROXYBENZOIC ACID	A,B	2FN1	0.7
VNL	4-HYDROXY-3-METHOXYBENZOATE	A,B,C,D	2AHC	0.74
VNL	4-HYDROXY-3-METHOXYBENZOATE	A	1XLR	0.74
HPP	HYDROXYPHENYL PROPIONIC ACID	A,B	2TPL	0.7
HPP	HYDROXYPHENYL PROPIONIC ACID	A,B,C,D	3GGP	0.7
34C	(3-CHLORO-4-PROPOXY-PHENYL)-ACETIC ACID	A,B	1HT8	0.82
AC6	P-HYDROXYACETOPHENONE	A	2GQ8	0.74
AC6	P-HYDROXYACETOPHENONE	X	2O48	0.74
174	4-CHLORO-BENZOIC ACID	X	3DLP	0.74
174	4-CHLORO-BENZOIC ACID	X	1T5D	0.74
M1S	(5E)-14-CHLORO-15,17-DIHYDROXY- 4,7,8,9,10,11-HEXAHYDRO-2-BENZOXACYCLOPENTADECINE- 1,12(3H,13H)-DIONE	A	2IWX	0.8
3CA		A,B	2B77	0.75
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
C17	7-[(3-CHLOROBENZYL)OXY]-2-OXO-2H- CHROMENE-4-CARBALDEHYDE	A,B	2V60	0.72
HBA	P-HYDROXYBENZALDEHYDE	A	1K03	0.73
HBA	P-HYDROXYBENZALDEHYDE	A,B	2VQ5	0.73
HBA	P-HYDROXYBENZALDEHYDE	A,B	1EB9	0.73
HBA	P-HYDROXYBENZALDEHYDE	A	2GQ9	0.73
HBA	P-HYDROXYBENZALDEHYDE	A,B	1Z42	0.73
HBA	P-HYDROXYBENZALDEHYDE	A	1OYB	0.73
OAC	TRANS-O-HYDROXY-ALPHA-METHYL CINNAMATE	C	3GCH	0.72
YRG	(2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acid	A	3CDP	0.71
L1O	4-(2-aminoethoxy)-3,5-dichlorobenzoic acid	A	2VIO	0.86
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
VXX	VANILLATE	A,B	1WB6	0.75
FC2	5-(2,5-DICHLOROPHENYL)-2-FUROIC ACID	A	2EVM	0.74
MPB	4-HYDROXY-BENZOIC ACID METHYL ESTER	B,C,D	2VK0	0.85
MPB	4-HYDROXY-BENZOIC ACID METHYL ESTER	A,B,D	3MTH	0.85
C2U	3,5-dichloro-2-hydroxybenzoic acid	A	3C3U	0.82
C2U	3,5-dichloro-2-hydroxybenzoic acid	A	3CV7	0.82
AI7	3-(heptyloxy)benzoic acid	A,B	2O3Z	0.74
FHB	3-FLUORO-4-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCF	0.76
NP4	(5Z)-12-CHLORO-13,15-DIHYDROXY- 4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE- 1,10(3H,11H)-DIONE	A	2IWS	0.8
DBE	bis(4-hydroxyphenyl)methanone	A	2VKU	0.72
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
3HB	3-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCB	0.71
3HB	3-HYDROXYBENZOIC ACID	A	2DKH	0.71
34Z	3,4-dichlorobenzoate	X	2QVY	0.74
34Z	3,4-dichlorobenzoate	X	2QW0	0.74
3BZ	3-chlorobenzoate	X	2QVZ	0.76
3BZ	3-chlorobenzoate	X	2QVX	0.76
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D	3E5U	0.81
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	A,B	3E6B	0.81
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D	3E5X	0.81
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	A,B	2H6B	0.81
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	C	3E6C	0.81
3HP	3-HYDROXYPHENYLACETATE	M,N,O,P,Q,R	3PCE	0.72
IH5	[4-(4-HYDROXY-3-ISOPROPYLPHENOXY)- 3,5-DIMETHYLPHENYL]ACETIC ACID	A	1NAV	0.75
IH5	[4-(4-HYDROXY-3-ISOPROPYLPHENOXY)- 3,5-DIMETHYLPHENYL]ACETIC ACID	A	1NAX	0.75
FRR	(3R,5Z,8S,9S,11E)-8,9,16-TRIHYDROXY- 14-METHOXY-3-METHYL-3,4,9,10-TETRAHYDRO- 1H-2-BENZOXACYCLOTETRADECINE-1,7(8H)- DIONE	A	2E14	0.71
P2N	(5Z)-13-CHLORO-14,16-DIHYDROXY- 3,4,7,8,9,10-HEXAHYDRO-1H-2-BENZOXACYCLOTETRADECINE- 1,11(12H)-DIONE	A	2CGF	0.8
HHH	(2S)-hydroxy(4-hydroxyphenyl)ethanoic acid	A,B	2R5V	0.7
A15	3'-3"-DICHLOROPHENOL-1,8-3H-BENZO[DE]ISOCHROMEN- 1-ONE	A	1TSL	0.8
A18	5-(2-CHLOROBENZYL)-2-FUROIC ACID	A	2Q96	0.75
EAA	ETHACRYNIC ACID	A,B	3DGQ	0.78
EAA	ETHACRYNIC ACID	A,B	11GS	0.78
EAA	ETHACRYNIC ACID	A,B,C,D	1GSF	0.78
EAA	ETHACRYNIC ACID	A,B	2GSS	0.78
EAA	ETHACRYNIC ACID	A,B	3GSS	0.78
EAA	ETHACRYNIC ACID	A,B	1GSE	0.78
GA9	3,3-BIS(3-BROMO-4-HYDROXYPHENYL)- 7-CHLORO-1H,3H-BENZO[DE]ISOCHROMEN- 1-ONE	A,B,C,D	2A9W	0.7
PCQ	3,5,3',5'-TETRACHLORO-BIPHENYL- 4,4'-DIOL	A,B	1G3M	0.71
PCQ	3,5,3',5'-TETRACHLORO-BIPHENYL- 4,4'-DIOL	A,B	2G5U	0.71
RDC	RADICICOL	A,B	2Q8I	0.8
RDC	RADICICOL	A,B	1U0Z	0.8
RDC	RADICICOL	A	1BGQ	0.8
RDC	RADICICOL	B,D,F,H	2ZBK	0.8
RDC	RADICICOL	A	2HKJ	0.8
RDC	RADICICOL	A,B,C	3CGY	0.8
RDC	RADICICOL	A,B	2WER	0.8
IHB	3-IODO-4-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCI	0.76
PHB	P-HYDROXYBENZOIC ACID	A	1CJ4	0.77
PHB	P-HYDROXYBENZOIC ACID	A	1DOB	0.77
PHB	P-HYDROXYBENZOIC ACID	A	1PXB	0.77
PHB	P-HYDROXYBENZOIC ACID	A,B	1G1B	0.77
PHB	P-HYDROXYBENZOIC ACID	A,B	1YKJ	0.77
PHB	P-HYDROXYBENZOIC ACID	A	1IUV	0.77
PHB	P-HYDROXYBENZOIC ACID	A	1PBE	0.77
PHB	P-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCC	0.77
PHB	P-HYDROXYBENZOIC ACID	A	1PDH	0.77
PHB	P-HYDROXYBENZOIC ACID	B	2BUW	0.77
PHB	P-HYDROXYBENZOIC ACID	A	1CC4	0.77
PHB	P-HYDROXYBENZOIC ACID	A	1CC6	0.77
PHB	P-HYDROXYBENZOIC ACID	A	1IUW	0.77
PHB	P-HYDROXYBENZOIC ACID	A	1FW9	0.77
PHB	P-HYDROXYBENZOIC ACID	A	1G81	0.77
PHB	P-HYDROXYBENZOIC ACID	A	1BGJ	0.77
PHB	P-HYDROXYBENZOIC ACID	A	1IUX	0.77
PHB	P-HYDROXYBENZOIC ACID	A	1CJ3	0.77
PHB	P-HYDROXYBENZOIC ACID	A	1D7L	0.77
PHB	P-HYDROXYBENZOIC ACID	A	2PHH	0.77
PHB	P-HYDROXYBENZOIC ACID	A	1BGN	0.77
PHB	P-HYDROXYBENZOIC ACID	A	1PXA	0.77
PHB	P-HYDROXYBENZOIC ACID	A	1DOC	0.77
PHB	P-HYDROXYBENZOIC ACID	A	1K0I	0.77
PHB	P-HYDROXYBENZOIC ACID	A	1BKW	0.77
PHB	P-HYDROXYBENZOIC ACID	A	1JD3	0.77
PHB	P-HYDROXYBENZOIC ACID	A	1PXC	0.77
PHB	P-HYDROXYBENZOIC ACID	A	1TT8	0.77
PHB	P-HYDROXYBENZOIC ACID	A	1CJ2	0.77
PHB	P-HYDROXYBENZOIC ACID	A,B	1Q4S	0.77
PHB	P-HYDROXYBENZOIC ACID	A	1BF3	0.77
PHB	P-HYDROXYBENZOIC ACID	B	2BUR	0.77
SYR	SYRINGATE	A,B	1WB5	0.73
ANN	4-METHOXYBENZOIC ACID	A	2B96	0.81
ANN	4-METHOXYBENZOIC ACID	A	2QUE	0.81
ANN	4-METHOXYBENZOIC ACID	A	1SV3	0.81
ANN	4-METHOXYBENZOIC ACID	A	1O2E	0.81
ANN	4-METHOXYBENZOIC ACID	A,B,C,D	3CBI	0.81