MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02838999

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
DHC	CAFFEIC ACID	A,B,C,D,E,F, G,H	2O7D	0.77
DHC	CAFFEIC ACID	A	1KOU	0.77
TOM	4-(2-METHOXYPHENYL)-2-OXOBUT-3- ENOIC ACID	A	2IMF	0.7
DOB	2,4-DIHYDROXYBENZOIC ACID	A	1DOD	0.74
DOB	2,4-DIHYDROXYBENZOIC ACID	A	1DOE	0.74
DOB	2,4-DIHYDROXYBENZOIC ACID	A	1PBB	0.74
HBA	P-HYDROXYBENZALDEHYDE	A	1K03	0.7
HBA	P-HYDROXYBENZALDEHYDE	A,B	2VQ5	0.7
HBA	P-HYDROXYBENZALDEHYDE	A,B	1EB9	0.7
HBA	P-HYDROXYBENZALDEHYDE	A	2GQ9	0.7
HBA	P-HYDROXYBENZALDEHYDE	A,B	1Z42	0.7
HBA	P-HYDROXYBENZALDEHYDE	A	1OYB	0.7
34D	3,5-DIHYDROXYBENZOATE	A,B	2BX7	0.7
M1S	(5E)-14-CHLORO-15,17-DIHYDROXY- 4,7,8,9,10,11-HEXAHYDRO-2-BENZOXACYCLOPENTADECINE- 1,12(3H,13H)-DIONE	A	2IWX	0.71
ETY	4-ethylphenol	A,B,C,D	2RA6	0.71
TOH	(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT- 3-ENOIC ACID	A	2IME	0.78
TOH	(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT- 3-ENOIC ACID	A	2IMD	0.78
GRE	2,6-DIHYDROXYBENZOIC ACID	A,B,C,D	2DVU	0.73
DIU	2-HYDROXY-3,5-DIIODO-BENZOIC ACID	A,B	3B56	0.72
DIU	2-HYDROXY-3,5-DIIODO-BENZOIC ACID	A	2BXL	0.72
FHB	3-FLUORO-4-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCF	0.72
3CA		A,B	2B77	0.77
PCR	P-CRESOL	A	1JHV	0.71
PCR	P-CRESOL	A	1JHU	0.71
PCR	P-CRESOL	A,B,C,D	1DIQ	0.71
PCQ	3,5,3',5'-TETRACHLORO-BIPHENYL- 4,4'-DIOL	A,B	1G3M	0.77
PCQ	3,5,3',5'-TETRACHLORO-BIPHENYL- 4,4'-DIOL	A,B	2G5U	0.77
IHB	3-IODO-4-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCI	0.72
NE2	3,3',4',5-TETRACHLOROBIPHENYL-4- OL	A,B	2GAB	0.74
NP5	(5E)-12-CHLORO-13,15-DIHYDROXY- 4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE- 1,10(3H,11H)-DIONE	A	2IWU	0.71
ENO	3-(4-HYDROXY-PHENYL)PYRUVIC ACID	H,I	1A2C	0.73
ENO	3-(4-HYDROXY-PHENYL)PYRUVIC ACID	A,B,C	1CA7	0.73
ENO	3-(4-HYDROXY-PHENYL)PYRUVIC ACID	A,B,C,D	3GGO	0.73
CHP	3-CHLORO-4-HYDROXYPHENYLGLYCINE	A	1DSR	0.73
4HP	4-HYDROXYPHENYLACETATE	A,B,C,D	2JBT	0.74
4HP	4-HYDROXYPHENYLACETATE	A	2YYJ	0.74
4HP	4-HYDROXYPHENYLACETATE	A	2YYM	0.74
4HP	4-HYDROXYPHENYLACETATE	B	1AI6	0.74
4HP	4-HYDROXYPHENYLACETATE	M,N,O,P,Q,R	3PCG	0.74
CNT	N-METHYL-META-CHLORO-TYROSINE	C,D	1OKX	0.72
2HC	(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACID	A,B	1V5Z	0.79
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
BP3	2'-CHLORO-BIPHENYL-2,3-DIOL	A	1LGT	0.7
FHC	2-FLUORO-3-(4-HYDROXYPHENYL)-2E- PROPENEOATE	A	2OPA	0.8
FHC	2-FLUORO-3-(4-HYDROXYPHENYL)-2E- PROPENEOATE	A,B,C	1MFI	0.8
FHC	2-FLUORO-3-(4-HYDROXYPHENYL)-2E- PROPENEOATE	A,B	1GYY	0.8
3HB	3-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCB	0.73
3HB	3-HYDROXYBENZOIC ACID	A	2DKH	0.73
HPP	HYDROXYPHENYL PROPIONIC ACID	A,B	2TPL	0.75
HPP	HYDROXYPHENYL PROPIONIC ACID	A,B,C,D	3GGP	0.75
174	4-CHLORO-BENZOIC ACID	X	3DLP	0.75
174	4-CHLORO-BENZOIC ACID	X	1T5D	0.75
34Z	3,4-dichlorobenzoate	X	2QVY	0.73
34Z	3,4-dichlorobenzoate	X	2QW0	0.73
2CH	2-CHLOROPHENOL	A	1WBO	0.76
C2U	3,5-dichloro-2-hydroxybenzoic acid	A	3C3U	0.83
C2U	3,5-dichloro-2-hydroxybenzoic acid	A	3CV7	0.83
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D	3E5U	0.87
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	A,B	3E6B	0.87
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D	3E5X	0.87
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	A,B	2H6B	0.87
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	C	3E6C	0.87
3BZ	3-chlorobenzoate	X	2QVZ	0.76
3BZ	3-chlorobenzoate	X	2QVX	0.76
SAL	2-HYDROXYBENZOIC ACID	A	2I2Z	0.76
SAL	2-HYDROXYBENZOIC ACID	A,B,C	1FIQ	0.76
SAL	2-HYDROXYBENZOIC ACID	A	2I30	0.76
SAL	2-HYDROXYBENZOIC ACID	A,B	1PTH	0.76
SAL	2-HYDROXYBENZOIC ACID	A,B	3DEU	0.76
SAL	2-HYDROXYBENZOIC ACID	A,B,C,D	2E1Q	0.76
SAL	2-HYDROXYBENZOIC ACID	A,B	3HGX	0.76
SAL	2-HYDROXYBENZOIC ACID	A,B	3BPX	0.76
SAL	2-HYDROXYBENZOIC ACID	A	1WYG	0.76
SAL	2-HYDROXYBENZOIC ACID	A	1JGS	0.76
SAL	2-HYDROXYBENZOIC ACID	X	1M6E	0.76
SAL	2-HYDROXYBENZOIC ACID	A	3B9M	0.76
SAL	2-HYDROXYBENZOIC ACID	A,B	1FO4	0.76
SAL	2-HYDROXYBENZOIC ACID	A,B	1Y7I	0.76
SAL	2-HYDROXYBENZOIC ACID	A,B	2FN1	0.76
HC4		A	1TS6	0.81
HC4		A	3PHY	0.81
HC4		A	3PYP	0.81
HC4		A	1T1C	0.81
HC4		A	1OT6	0.81
HC4		A	1TS0	0.81
HC4		A	1T1A	0.81
HC4		A	2PYP	0.81
HC4		A	2ZOI	0.81
HC4		A	1OTI	0.81
HC4		A	1XFQ	0.81
HC4		A	2D01	0.81
HC4		A,B,C,D,E,F, G,H	2O7B	0.81
HC4		A	2ZOH	0.81
HC4		A	1GSW	0.81
HC4		A	2QJ7	0.81
HC4		A	1F9I	0.81
HC4		X	1UWP	0.81
HC4		A	2PHY	0.81
HC4		A	1T1B	0.81
HC4		A	1F98	0.81
HC4		A	1T19	0.81
HC4		X	1UWN	0.81
HC4		A,B,C,D,E,F, G,H	2O7F	0.81
HC4		A	1UGU	0.81
HC4		A	1TS8	0.81
HC4		A,B	1OTD	0.81
HC4		A	1OTE	0.81
HC4		A	1GSX	0.81
HC4		A	1TS7	0.81
HC4		A	2PYR	0.81
HC4		A	1S4S	0.81
HC4		A	1GSV	0.81
HC4		A	2I9V	0.81
HC4		A	2QWS	0.81
HC4		A	1XFN	0.81
HC4		A	1S4R	0.81
HC4		A	1T18	0.81
HC4		A	1OTA	0.81
HC4		A	1D7E	0.81
HC4		A	1S1Z	0.81
HC4		A,B,C	1MZU	0.81
HC4		A,B	1ODV	0.81
HC4		A,B	2J3J	0.81
HC4		A	2QJ5	0.81
HC4		A	1OTB	0.81
HC4		A	2D02	0.81
HC4		A	1OT9	0.81
HC4		A	1NWZ	0.81
HC4		A	1S1Y	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
34C	(3-CHLORO-4-PROPOXY-PHENYL)-ACETIC ACID	A,B	1HT8	0.74
OHP	(2-HYDROXYPHENYL)ACETIC ACID	A	2INZ	0.72
4NA	1-CHLORO-6-(4-HYDROXYPHENYL)-2- NAPHTHOL	A,B	1YY4	0.71
NP4	(5Z)-12-CHLORO-13,15-DIHYDROXY- 4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE- 1,10(3H,11H)-DIONE	A	2IWS	0.71
AC6	P-HYDROXYACETOPHENONE	A	2GQ8	0.71
AC6	P-HYDROXYACETOPHENONE	X	2O48	0.71
SN1	2,4-DIHYDROXY-TRANS CINNAMIC ACID	1	1K2I	0.78
R12	9-(4-HYDROXY-2,6-DIMETHYL-PHENYL)- 3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID	A	3CBS	0.71
43M	4-CHLORO-3-METHYLPHENOL	A	2P7A	0.76
NE1	2',3,3',4',5-PENTACHLOROBIPHENYL- 4-OL	A,B	2G9K	0.74
P2N	(5Z)-13-CHLORO-14,16-DIHYDROXY- 3,4,7,8,9,10-HEXAHYDRO-1H-2-BENZOXACYCLOTETRADECINE- 1,11(12H)-DIONE	A	2CGF	0.71
3CH	3-CHLOROPHENOL	A	1LI3	0.73
CHB	3-CHLORO-4-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCH	0.85