MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02349105

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
OSB	2-SUCCINYLBENZOATE	A	1FHV	0.71
OSB	2-SUCCINYLBENZOATE	A,B,C,D	1SJB	0.71
OSB	2-SUCCINYLBENZOATE	A,B	2QVH	0.71
174	4-CHLORO-BENZOIC ACID	X	3DLP	0.72
174	4-CHLORO-BENZOIC ACID	X	1T5D	0.72
NGV	METHYL 5,7-DIHYDROXY-2-METHYL-4,6,11- TRIOXO-3,4,6,11-TETRAHYDROTETRACENE- 1-CARBOXYLATE	A,B,C,D	2F98	0.72
NGV	METHYL 5,7-DIHYDROXY-2-METHYL-4,6,11- TRIOXO-3,4,6,11-TETRAHYDROTETRACENE- 1-CARBOXYLATE	A	1SJW	0.72
23A	2,3-DIHYDROXYBENZALDEHYDE	A,B,C,D	2DVX	0.74
JUG	5-hydroxynaphthalene-1,4-dione	A,B,C,D,E,F	3B7J	0.88
AC6	P-HYDROXYACETOPHENONE	A	2GQ8	0.73
AC6	P-HYDROXYACETOPHENONE	X	2O48	0.73
NP4	(5Z)-12-CHLORO-13,15-DIHYDROXY- 4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE- 1,10(3H,11H)-DIONE	A	2IWS	0.73
RDC	RADICICOL	A,B	2Q8I	0.72
RDC	RADICICOL	A,B	1U0Z	0.72
RDC	RADICICOL	A	1BGQ	0.72
RDC	RADICICOL	B,D,F,H	2ZBK	0.72
RDC	RADICICOL	A	2HKJ	0.72
RDC	RADICICOL	A,B,C	3CGY	0.72
RDC	RADICICOL	A,B	2WER	0.72
ADL	(1,8-DIHYDROXY-9-OXO-9,10-DIHYDRO- ANTHRACEN-2-YL)-ACETIC ACID	A,B	1N5S	0.74
FHI		A,B	1Y1D	0.71
CHB	3-CHLORO-4-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCH	0.76
P2N	(5Z)-13-CHLORO-14,16-DIHYDROXY- 3,4,7,8,9,10-HEXAHYDRO-1H-2-BENZOXACYCLOTETRADECINE- 1,11(12H)-DIONE	A	2CGF	0.73
SAL	2-HYDROXYBENZOIC ACID	A	2I2Z	0.74
SAL	2-HYDROXYBENZOIC ACID	A,B,C	1FIQ	0.74
SAL	2-HYDROXYBENZOIC ACID	A	2I30	0.74
SAL	2-HYDROXYBENZOIC ACID	A,B	1PTH	0.74
SAL	2-HYDROXYBENZOIC ACID	A,B	3DEU	0.74
SAL	2-HYDROXYBENZOIC ACID	A,B,C,D	2E1Q	0.74
SAL	2-HYDROXYBENZOIC ACID	A,B	3HGX	0.74
SAL	2-HYDROXYBENZOIC ACID	A,B	3BPX	0.74
SAL	2-HYDROXYBENZOIC ACID	A	1WYG	0.74
SAL	2-HYDROXYBENZOIC ACID	A	1JGS	0.74
SAL	2-HYDROXYBENZOIC ACID	X	1M6E	0.74
SAL	2-HYDROXYBENZOIC ACID	A	3B9M	0.74
SAL	2-HYDROXYBENZOIC ACID	A,B	1FO4	0.74
SAL	2-HYDROXYBENZOIC ACID	A,B	1Y7I	0.74
SAL	2-HYDROXYBENZOIC ACID	A,B	2FN1	0.74
3HB	3-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCB	0.74
3HB	3-HYDROXYBENZOIC ACID	A	2DKH	0.74
BP3	2'-CHLORO-BIPHENYL-2,3-DIOL	A	1LGT	0.72
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
AFI	2-[4-(4-CHLOROPHENYL)CYCLOHEXYLIDENE]- 3,4-DIHYDROXY-1(2H)-NAPHTHALENONE	A,B	1UUM	0.79
43M	4-CHLORO-3-METHYLPHENOL	A	2P7A	0.72
3BZ	3-chlorobenzoate	X	2QVZ	0.73
3BZ	3-chlorobenzoate	X	2QVX	0.73
C2U	3,5-dichloro-2-hydroxybenzoic acid	A	3C3U	0.78
C2U	3,5-dichloro-2-hydroxybenzoic acid	A	3CV7	0.78
FLV	FLAVIOLIN	A	1ZDW	0.8
FLV	FLAVIOLIN	A	1T93	0.8
FLV	FLAVIOLIN	A	2D09	0.8
OHP	(2-HYDROXYPHENYL)ACETIC ACID	A	2INZ	0.7
DBH	2,3-DIHYDROXY-BENZOIC ACID	A,B,C	3CMP	0.73
DBH	2,3-DIHYDROXY-BENZOIC ACID	A	1MD9	0.73
DBH	2,3-DIHYDROXY-BENZOIC ACID	A	1MDB	0.73
DBH	2,3-DIHYDROXY-BENZOIC ACID	A,B,C	1L6M	0.73
DBH	2,3-DIHYDROXY-BENZOIC ACID	A,B,C	3BY0	0.73
NOM	7-HYDROXY-5-METHYL-3,3A,5,11B-TETRAHYDRO- 1,4-DIOXA-CYCLOPENTA[A]ANTHRACENE- 2,6,11-TRIONE	A	1N5V	0.72
BP6	2',6'-DICHLORO-BIPHENYL-2,6-DIOL	A	1LKD	0.71
3CA		A,B	2B77	0.81
DIU	2-HYDROXY-3,5-DIIODO-BENZOIC ACID	A,B	3B56	0.71
DIU	2-HYDROXY-3,5-DIIODO-BENZOIC ACID	A	2BXL	0.71
NP5	(5E)-12-CHLORO-13,15-DIHYDROXY- 4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE- 1,10(3H,11H)-DIONE	A	2IWU	0.73
SDN	[(3S)-9-hydroxy-1-methyl-10-oxo- 4,10-dihydro-3H-benzo[g]isochromen- 3-yl]acetic acid	A,B	3B6C	0.74
HCC	2',4,4'-TRIHYDROXYCHALCONE	D	1FP1	0.73
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A,B	2RH4	0.74
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A,B	3CSD	0.74
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A,B	2RHR	0.74
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A	1F0Q	0.74
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A	3C13	0.74
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A,B	2RHC	0.74
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A	3BQC	0.74
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D	3E5U	0.76
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	A,B	3E6B	0.76
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D	3E5X	0.76
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	A,B	2H6B	0.76
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	C	3E6C	0.76
CPH	1,8-DIHYDROXY-7-METHYL-3-(1,3,4- TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO- 2H-ANTHRACEN-9-ONE	A,B	1D83	0.7
CPH	1,8-DIHYDROXY-7-METHYL-3-(1,3,4- TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO- 2H-ANTHRACEN-9-ONE	A,B	1EKH	0.7
CPH	1,8-DIHYDROXY-7-METHYL-3-(1,3,4- TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO- 2H-ANTHRACEN-9-ONE	A,B	1EKI	0.7
CPH	1,8-DIHYDROXY-7-METHYL-3-(1,3,4- TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO- 2H-ANTHRACEN-9-ONE	A,B,C,D	1VAQ	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	0.73
789	3-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)- 1H-INDEN-1-ONE	A,B	1ZAF	0.73
OAL	(1,8-DIHYDROXY-9,10-DIOXO-9,10- DIHYDRO-ANTHRACEN-2-YL)-ACETIC ACID	B	1N5T	0.76
34Z	3,4-dichlorobenzoate	X	2QVY	0.7
34Z	3,4-dichlorobenzoate	X	2QW0	0.7
BIK	3,7-DIHYDROXY-2-NAPHTHOIC ACID	A	1U5A	0.74
BIK	3,7-DIHYDROXY-2-NAPHTHOIC ACID	A	1U5C	0.74
DBE	bis(4-hydroxyphenyl)methanone	A	2VKU	0.73
GRE	2,6-DIHYDROXYBENZOIC ACID	A,B,C,D	2DVU	0.71
G50	3-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)PROPAN- 1-ONE	A,B	2UXI	0.72