MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03537180

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
174	4-CHLORO-BENZOIC ACID	X	3DLP	0.77
174	4-CHLORO-BENZOIC ACID	X	1T5D	0.77
OHP	(2-HYDROXYPHENYL)ACETIC ACID	A	2INZ	0.71
PSN	BENZYL 2-FORMYLPHENYL HYDROGEN PHOSPHATE	A	1O4K	0.72
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
TMM	1,3,5-BENZENETRICARBOXYLIC ACID	A,B,C,D	1SDL	0.75
TMM	1,3,5-BENZENETRICARBOXYLIC ACID	A,B,C,D	1SDK	0.75
AKV	{3-[(1R,3S)-1,3-DIHYDROXYPENTYL]- 4,5,9,10-TETRAHYDROXY-2-ANTHRYL}ACETATE	A,B,C,D	2F99	0.7
DBE	bis(4-hydroxyphenyl)methanone	A	2VKU	0.71
TOH	(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT- 3-ENOIC ACID	A	2IME	0.7
TOH	(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT- 3-ENOIC ACID	A	2IMD	0.7
3BZ	3-chlorobenzoate	X	2QVZ	0.78
3BZ	3-chlorobenzoate	X	2QVX	0.78
FHB	3-FLUORO-4-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCF	0.72
23A	2,3-DIHYDROXYBENZALDEHYDE	A,B,C,D	2DVX	0.75
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D	3E5U	0.78
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	A,B	3E6B	0.78
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D	3E5X	0.78
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	A,B	2H6B	0.78
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	C	3E6C	0.78
HBA	P-HYDROXYBENZALDEHYDE	A	1K03	0.75
HBA	P-HYDROXYBENZALDEHYDE	A,B	2VQ5	0.75
HBA	P-HYDROXYBENZALDEHYDE	A,B	1EB9	0.75
HBA	P-HYDROXYBENZALDEHYDE	A	2GQ9	0.75
HBA	P-HYDROXYBENZALDEHYDE	A,B	1Z42	0.75
HBA	P-HYDROXYBENZALDEHYDE	A	1OYB	0.75
2PB	2-[(DIOXIDOPHOSPHINO)OXY]BENZOATE	A	1SDE	0.74
IHB	3-IODO-4-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCI	0.72
DBH	2,3-DIHYDROXY-BENZOIC ACID	A,B,C	3CMP	0.76
DBH	2,3-DIHYDROXY-BENZOIC ACID	A	1MD9	0.76
DBH	2,3-DIHYDROXY-BENZOIC ACID	A	1MDB	0.76
DBH	2,3-DIHYDROXY-BENZOIC ACID	A,B,C	1L6M	0.76
DBH	2,3-DIHYDROXY-BENZOIC ACID	A,B,C	3BY0	0.76
ADL	(1,8-DIHYDROXY-9-OXO-9,10-DIHYDRO- ANTHRACEN-2-YL)-ACETIC ACID	A,B	1N5S	0.7
OAL	(1,8-DIHYDROXY-9,10-DIOXO-9,10- DIHYDRO-ANTHRACEN-2-YL)-ACETIC ACID	B	1N5T	0.7
P2N	(5Z)-13-CHLORO-14,16-DIHYDROXY- 3,4,7,8,9,10-HEXAHYDRO-1H-2-BENZOXACYCLOTETRADECINE- 1,11(12H)-DIONE	A	2CGF	0.77
CHB	3-CHLORO-4-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCH	0.8
OAC	TRANS-O-HYDROXY-ALPHA-METHYL CINNAMATE	C	3GCH	0.7
BJH	1(R)-1-ACETAMIDO-2-(3-CARBOXY-2- HYDROXYPHENYL)ETHYL BORONIC ACID	A	1ERQ	0.7
RDC	RADICICOL	A,B	2Q8I	0.75
RDC	RADICICOL	A,B	1U0Z	0.75
RDC	RADICICOL	A	1BGQ	0.75
RDC	RADICICOL	B,D,F,H	2ZBK	0.75
RDC	RADICICOL	A	2HKJ	0.75
RDC	RADICICOL	A,B,C	3CGY	0.75
RDC	RADICICOL	A,B	2WER	0.75
3HB	3-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCB	0.73
3HB	3-HYDROXYBENZOIC ACID	A	2DKH	0.73
4CB	4-CARBOXYPHENYLBORONIC ACID	A,B	1KDW	0.71
34D	3,5-DIHYDROXYBENZOATE	A,B	2BX7	0.74
GRE	2,6-DIHYDROXYBENZOIC ACID	A,B,C,D	2DVU	0.78
299	2,6-DIFORMYL-4-METHYLPHENYL DIHYDROGEN PHOSPHATE	A	1O4E	0.76
NP4	(5Z)-12-CHLORO-13,15-DIHYDROXY- 4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE- 1,10(3H,11H)-DIONE	A	2IWS	0.77
219	CYCLOHEXYLMETHYL 2-FORMYLPHENYL HYDROGEN PHOSPHATE	A	1O4I	0.72
JUG	5-hydroxynaphthalene-1,4-dione	A,B,C,D,E,F	3B7J	0.7
262	2-FORMYLPHENYL DIHYDROGEN PHOSPHATE	A	1O4D	0.74
1FL	5-(2,4-DIFLUOROPHENYL)-2-HYDROXY- BENZOIC ACID	A,B	2BXE	0.76
1FL	5-(2,4-DIFLUOROPHENYL)-2-HYDROXY- BENZOIC ACID	A,B	3D2T	0.76
34Z	3,4-dichlorobenzoate	X	2QVY	0.75
34Z	3,4-dichlorobenzoate	X	2QW0	0.75
G50	3-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)PROPAN- 1-ONE	A,B	2UXI	0.73
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
M1S	(5E)-14-CHLORO-15,17-DIHYDROXY- 4,7,8,9,10,11-HEXAHYDRO-2-BENZOXACYCLOPENTADECINE- 1,12(3H,13H)-DIONE	A	2IWX	0.77
HCC	2',4,4'-TRIHYDROXYCHALCONE	D	1FP1	0.73
SAL	2-HYDROXYBENZOIC ACID	A	2I2Z	0.81
SAL	2-HYDROXYBENZOIC ACID	A,B,C	1FIQ	0.81
SAL	2-HYDROXYBENZOIC ACID	A	2I30	0.81
SAL	2-HYDROXYBENZOIC ACID	A,B	1PTH	0.81
SAL	2-HYDROXYBENZOIC ACID	A,B	3DEU	0.81
SAL	2-HYDROXYBENZOIC ACID	A,B,C,D	2E1Q	0.81
SAL	2-HYDROXYBENZOIC ACID	A,B	3HGX	0.81
SAL	2-HYDROXYBENZOIC ACID	A,B	3BPX	0.81
SAL	2-HYDROXYBENZOIC ACID	A	1WYG	0.81
SAL	2-HYDROXYBENZOIC ACID	A	1JGS	0.81
SAL	2-HYDROXYBENZOIC ACID	X	1M6E	0.81
SAL	2-HYDROXYBENZOIC ACID	A	3B9M	0.81
SAL	2-HYDROXYBENZOIC ACID	A,B	1FO4	0.81
SAL	2-HYDROXYBENZOIC ACID	A,B	1Y7I	0.81
SAL	2-HYDROXYBENZOIC ACID	A,B	2FN1	0.81
PHB	P-HYDROXYBENZOIC ACID	A	1CJ4	0.74
PHB	P-HYDROXYBENZOIC ACID	A	1DOB	0.74
PHB	P-HYDROXYBENZOIC ACID	A	1PXB	0.74
PHB	P-HYDROXYBENZOIC ACID	A,B	1G1B	0.74
PHB	P-HYDROXYBENZOIC ACID	A,B	1YKJ	0.74
PHB	P-HYDROXYBENZOIC ACID	A	1IUV	0.74
PHB	P-HYDROXYBENZOIC ACID	A	1PBE	0.74
PHB	P-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCC	0.74
PHB	P-HYDROXYBENZOIC ACID	A	1PDH	0.74
PHB	P-HYDROXYBENZOIC ACID	B	2BUW	0.74
PHB	P-HYDROXYBENZOIC ACID	A	1CC4	0.74
PHB	P-HYDROXYBENZOIC ACID	A	1CC6	0.74
PHB	P-HYDROXYBENZOIC ACID	A	1IUW	0.74
PHB	P-HYDROXYBENZOIC ACID	A	1FW9	0.74
PHB	P-HYDROXYBENZOIC ACID	A	1G81	0.74
PHB	P-HYDROXYBENZOIC ACID	A	1BGJ	0.74
PHB	P-HYDROXYBENZOIC ACID	A	1IUX	0.74
PHB	P-HYDROXYBENZOIC ACID	A	1CJ3	0.74
PHB	P-HYDROXYBENZOIC ACID	A	1D7L	0.74
PHB	P-HYDROXYBENZOIC ACID	A	2PHH	0.74
PHB	P-HYDROXYBENZOIC ACID	A	1BGN	0.74
PHB	P-HYDROXYBENZOIC ACID	A	1PXA	0.74
PHB	P-HYDROXYBENZOIC ACID	A	1DOC	0.74
PHB	P-HYDROXYBENZOIC ACID	A	1K0I	0.74
PHB	P-HYDROXYBENZOIC ACID	A	1BKW	0.74
PHB	P-HYDROXYBENZOIC ACID	A	1JD3	0.74
PHB	P-HYDROXYBENZOIC ACID	A	1PXC	0.74
PHB	P-HYDROXYBENZOIC ACID	A	1TT8	0.74
PHB	P-HYDROXYBENZOIC ACID	A	1CJ2	0.74
PHB	P-HYDROXYBENZOIC ACID	A,B	1Q4S	0.74
PHB	P-HYDROXYBENZOIC ACID	A	1BF3	0.74
PHB	P-HYDROXYBENZOIC ACID	B	2BUR	0.74
AIN	2-(ACETYLOXY)BENZOIC ACID	A	3GCL	0.73
AIN	2-(ACETYLOXY)BENZOIC ACID	A	2QQT	0.73
AIN	2-(ACETYLOXY)BENZOIC ACID	A	1TGM	0.73
AIN	2-(ACETYLOXY)BENZOIC ACID	A	2G5J	0.73
AIN	2-(ACETYLOXY)BENZOIC ACID	A	1OXR	0.73
AIN	2-(ACETYLOXY)BENZOIC ACID	A	3HWY	0.73
AC6	P-HYDROXYACETOPHENONE	A	2GQ8	0.71
AC6	P-HYDROXYACETOPHENONE	X	2O48	0.71
DIU	2-HYDROXY-3,5-DIIODO-BENZOIC ACID	A,B	3B56	0.8
DIU	2-HYDROXY-3,5-DIIODO-BENZOIC ACID	A	2BXL	0.8
DOB	2,4-DIHYDROXYBENZOIC ACID	A	1DOD	0.79
DOB	2,4-DIHYDROXYBENZOIC ACID	A	1DOE	0.79
DOB	2,4-DIHYDROXYBENZOIC ACID	A	1PBB	0.79
BE7	(4-CARBOXYPHENYL)(CHLORO)MERCURY	A	1ZFK	0.71
BE7	(4-CARBOXYPHENYL)(CHLORO)MERCURY	A	1ZFQ	0.71
BE7	(4-CARBOXYPHENYL)(CHLORO)MERCURY	A	1Z9Y	0.71
BE7	(4-CARBOXYPHENYL)(CHLORO)MERCURY	A	1ZH9	0.71
BE7	(4-CARBOXYPHENYL)(CHLORO)MERCURY	A	1ZGE	0.71
BE7	(4-CARBOXYPHENYL)(CHLORO)MERCURY	A	1ZGF	0.71
SDN	[(3S)-9-hydroxy-1-methyl-10-oxo- 4,10-dihydro-3H-benzo[g]isochromen- 3-yl]acetic acid	A,B	3B6C	0.72
BIK	3,7-DIHYDROXY-2-NAPHTHOIC ACID	A	1U5A	0.75
BIK	3,7-DIHYDROXY-2-NAPHTHOIC ACID	A	1U5C	0.75
3CA		A,B	2B77	0.83
C2U	3,5-dichloro-2-hydroxybenzoic acid	A	3C3U	0.88
C2U	3,5-dichloro-2-hydroxybenzoic acid	A	3CV7	0.88
NP5	(5E)-12-CHLORO-13,15-DIHYDROXY- 4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE- 1,10(3H,11H)-DIONE	A	2IWU	0.77
2HC	(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACID	A,B	1V5Z	0.7
FHI		A,B	1Y1D	0.75