MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03537049

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
3HP	3-HYDROXYPHENYLACETATE	M,N,O,P,Q,R	3PCE	0.71
4HP	4-HYDROXYPHENYLACETATE	A,B,C,D	2JBT	0.7
4HP	4-HYDROXYPHENYLACETATE	A	2YYJ	0.7
4HP	4-HYDROXYPHENYLACETATE	A	2YYM	0.7
4HP	4-HYDROXYPHENYLACETATE	B	1AI6	0.7
4HP	4-HYDROXYPHENYLACETATE	M,N,O,P,Q,R	3PCG	0.7
A15	3'-3"-DICHLOROPHENOL-1,8-3H-BENZO[DE]ISOCHROMEN- 1-ONE	A	1TSL	0.72
DBE	bis(4-hydroxyphenyl)methanone	A	2VKU	0.71
HCC	2',4,4'-TRIHYDROXYCHALCONE	D	1FP1	0.8
DIU	2-HYDROXY-3,5-DIIODO-BENZOIC ACID	A,B	3B56	0.77
DIU	2-HYDROXY-3,5-DIIODO-BENZOIC ACID	A	2BXL	0.77
FHB	3-FLUORO-4-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCF	0.77
FLV	FLAVIOLIN	A	1ZDW	0.76
FLV	FLAVIOLIN	A	1T93	0.76
FLV	FLAVIOLIN	A	2D09	0.76
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	0.7
FHI		A,B	1Y1D	0.71
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
NP5	(5E)-12-CHLORO-13,15-DIHYDROXY- 4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE- 1,10(3H,11H)-DIONE	A	2IWU	0.82
34C	(3-CHLORO-4-PROPOXY-PHENYL)-ACETIC ACID	A,B	1HT8	0.71
IHB	3-IODO-4-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCI	0.77
MPB	4-HYDROXY-BENZOIC ACID METHYL ESTER	B,C,D	2VK0	0.74
MPB	4-HYDROXY-BENZOIC ACID METHYL ESTER	A,B,D	3MTH	0.74
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
BVL	(2E)-1-[2-hydroxy-4-methoxy-5-(3- methylbut-2-en-1-yl)phenyl]-3-(4- hydroxyphenyl)prop-2-en-1-one	A	2ZBH	0.71
CHB	3-CHLORO-4-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCH	0.9
PHB	P-HYDROXYBENZOIC ACID	A	1CJ4	0.79
PHB	P-HYDROXYBENZOIC ACID	A	1DOB	0.79
PHB	P-HYDROXYBENZOIC ACID	A	1PXB	0.79
PHB	P-HYDROXYBENZOIC ACID	A,B	1G1B	0.79
PHB	P-HYDROXYBENZOIC ACID	A,B	1YKJ	0.79
PHB	P-HYDROXYBENZOIC ACID	A	1IUV	0.79
PHB	P-HYDROXYBENZOIC ACID	A	1PBE	0.79
PHB	P-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCC	0.79
PHB	P-HYDROXYBENZOIC ACID	A	1PDH	0.79
PHB	P-HYDROXYBENZOIC ACID	B	2BUW	0.79
PHB	P-HYDROXYBENZOIC ACID	A	1CC4	0.79
PHB	P-HYDROXYBENZOIC ACID	A	1CC6	0.79
PHB	P-HYDROXYBENZOIC ACID	A	1IUW	0.79
PHB	P-HYDROXYBENZOIC ACID	A	1FW9	0.79
PHB	P-HYDROXYBENZOIC ACID	A	1G81	0.79
PHB	P-HYDROXYBENZOIC ACID	A	1BGJ	0.79
PHB	P-HYDROXYBENZOIC ACID	A	1IUX	0.79
PHB	P-HYDROXYBENZOIC ACID	A	1CJ3	0.79
PHB	P-HYDROXYBENZOIC ACID	A	1D7L	0.79
PHB	P-HYDROXYBENZOIC ACID	A	2PHH	0.79
PHB	P-HYDROXYBENZOIC ACID	A	1BGN	0.79
PHB	P-HYDROXYBENZOIC ACID	A	1PXA	0.79
PHB	P-HYDROXYBENZOIC ACID	A	1DOC	0.79
PHB	P-HYDROXYBENZOIC ACID	A	1K0I	0.79
PHB	P-HYDROXYBENZOIC ACID	A	1BKW	0.79
PHB	P-HYDROXYBENZOIC ACID	A	1JD3	0.79
PHB	P-HYDROXYBENZOIC ACID	A	1PXC	0.79
PHB	P-HYDROXYBENZOIC ACID	A	1TT8	0.79
PHB	P-HYDROXYBENZOIC ACID	A	1CJ2	0.79
PHB	P-HYDROXYBENZOIC ACID	A,B	1Q4S	0.79
PHB	P-HYDROXYBENZOIC ACID	A	1BF3	0.79
PHB	P-HYDROXYBENZOIC ACID	B	2BUR	0.79
2PB	2-[(DIOXIDOPHOSPHINO)OXY]BENZOATE	A	1SDE	0.73
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
M1S	(5E)-14-CHLORO-15,17-DIHYDROXY- 4,7,8,9,10,11-HEXAHYDRO-2-BENZOXACYCLOPENTADECINE- 1,12(3H,13H)-DIONE	A	2IWX	0.82
3HB	3-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCB	0.73
3HB	3-HYDROXYBENZOIC ACID	A	2DKH	0.73
174	4-CHLORO-BENZOIC ACID	X	3DLP	0.75
174	4-CHLORO-BENZOIC ACID	X	1T5D	0.75
DHY	2-(3,4-DIHYDROXYPHENYL)ACETIC ACID	M,N,O,P,Q,R	3PCN	0.7
DHY	2-(3,4-DIHYDROXYPHENYL)ACETIC ACID	B	1AI4	0.7
DHY	2-(3,4-DIHYDROXYPHENYL)ACETIC ACID	A,B,C,D	1Q0C	0.7
DHY	2-(3,4-DIHYDROXYPHENYL)ACETIC ACID	A,B	1F1V	0.7
DHB	3,4-DIHYDROXYBENZOIC ACID	B	2BV0	0.75
DHB	3,4-DIHYDROXYBENZOIC ACID	A,B,D,F,H,J,L	1YKP	0.75
DHB	3,4-DIHYDROXYBENZOIC ACID	A	1N8Q	0.75
DHB	3,4-DIHYDROXYBENZOIC ACID	A,B	2BSL	0.75
DHB	3,4-DIHYDROXYBENZOIC ACID	B,D,F,H,J,L	1YKL	0.75
DHB	3,4-DIHYDROXYBENZOIC ACID	B,D	1B4U	0.75
DHB	3,4-DIHYDROXYBENZOIC ACID	A	3DX5	0.75
DHB	3,4-DIHYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCA	0.75
DHB	3,4-DIHYDROXYBENZOIC ACID	B,D,F,H,J,L	1YKN	0.75
DHB	3,4-DIHYDROXYBENZOIC ACID	B	1EOB	0.75
DHB	3,4-DIHYDROXYBENZOIC ACID	A	1PHH	0.75
DHB	3,4-DIHYDROXYBENZOIC ACID	B	2BUV	0.75
34Z	3,4-dichlorobenzoate	X	2QVY	0.73
34Z	3,4-dichlorobenzoate	X	2QW0	0.73
AGI	5,7-dihydroxy-2-(4-hydroxyphenyl)- 4H-chromen-4-one	A,B,C,D,E,F	3CF9	0.7
GRE	2,6-DIHYDROXYBENZOIC ACID	A,B,C,D	2DVU	0.83
DBH	2,3-DIHYDROXY-BENZOIC ACID	A,B,C	3CMP	0.75
DBH	2,3-DIHYDROXY-BENZOIC ACID	A	1MD9	0.75
DBH	2,3-DIHYDROXY-BENZOIC ACID	A	1MDB	0.75
DBH	2,3-DIHYDROXY-BENZOIC ACID	A,B,C	1L6M	0.75
DBH	2,3-DIHYDROXY-BENZOIC ACID	A,B,C	3BY0	0.75
P2N	(5Z)-13-CHLORO-14,16-DIHYDROXY- 3,4,7,8,9,10-HEXAHYDRO-1H-2-BENZOXACYCLOTETRADECINE- 1,11(12H)-DIONE	A	2CGF	0.82
SN1	2,4-DIHYDROXY-TRANS CINNAMIC ACID	1	1K2I	0.75
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
3CA		A,B	2B77	0.79
SYR	SYRINGATE	A,B	1WB5	0.7
C2U	3,5-dichloro-2-hydroxybenzoic acid	A	3C3U	0.9
C2U	3,5-dichloro-2-hydroxybenzoic acid	A	3CV7	0.9
34D	3,5-DIHYDROXYBENZOATE	A,B	2BX7	0.79
BIK	3,7-DIHYDROXY-2-NAPHTHOIC ACID	A	1U5A	0.72
BIK	3,7-DIHYDROXY-2-NAPHTHOIC ACID	A	1U5C	0.72
NP4	(5Z)-12-CHLORO-13,15-DIHYDROXY- 4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE- 1,10(3H,11H)-DIONE	A	2IWS	0.82
G50	3-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)PROPAN- 1-ONE	A,B	2UXI	0.78
AC6	P-HYDROXYACETOPHENONE	A	2GQ8	0.71
AC6	P-HYDROXYACETOPHENONE	X	2O48	0.71
OMD	2-(3,6-DIHYDROXYPHENYL)ACETIC ACID	A,B	1AJP	0.71
L1O	4-(2-aminoethoxy)-3,5-dichlorobenzoic acid	A	2VIO	0.71
OAC	TRANS-O-HYDROXY-ALPHA-METHYL CINNAMATE	C	3GCH	0.71
ANN	4-METHOXYBENZOIC ACID	A	2B96	0.71
ANN	4-METHOXYBENZOIC ACID	A	2QUE	0.71
ANN	4-METHOXYBENZOIC ACID	A	1SV3	0.71
ANN	4-METHOXYBENZOIC ACID	A	1O2E	0.71
ANN	4-METHOXYBENZOIC ACID	A,B,C,D	3CBI	0.71
GEN	GENISTEIN	A	1QKM	0.7
GEN	GENISTEIN	A,B	1X7J	0.7
GEN	GENISTEIN	A,B	2QA8	0.7
GEN	GENISTEIN	A	1X7R	0.7
DOB	2,4-DIHYDROXYBENZOIC ACID	A	1DOD	0.87
DOB	2,4-DIHYDROXYBENZOIC ACID	A	1DOE	0.87
DOB	2,4-DIHYDROXYBENZOIC ACID	A	1PBB	0.87
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
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A,B	2RH4	0.72
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A,B	3CSD	0.72
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A,B	2RHR	0.72
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A	1F0Q	0.72
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A	3C13	0.72
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A,B	2RHC	0.72
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A	3BQC	0.72
SAL	2-HYDROXYBENZOIC ACID	A	2I2Z	0.8
SAL	2-HYDROXYBENZOIC ACID	A,B,C	1FIQ	0.8
SAL	2-HYDROXYBENZOIC ACID	A	2I30	0.8
SAL	2-HYDROXYBENZOIC ACID	A,B	1PTH	0.8
SAL	2-HYDROXYBENZOIC ACID	A,B	3DEU	0.8
SAL	2-HYDROXYBENZOIC ACID	A,B,C,D	2E1Q	0.8
SAL	2-HYDROXYBENZOIC ACID	A,B	3HGX	0.8
SAL	2-HYDROXYBENZOIC ACID	A,B	3BPX	0.8
SAL	2-HYDROXYBENZOIC ACID	A	1WYG	0.8
SAL	2-HYDROXYBENZOIC ACID	A	1JGS	0.8
SAL	2-HYDROXYBENZOIC ACID	X	1M6E	0.8
SAL	2-HYDROXYBENZOIC ACID	A	3B9M	0.8
SAL	2-HYDROXYBENZOIC ACID	A,B	1FO4	0.8
SAL	2-HYDROXYBENZOIC ACID	A,B	1Y7I	0.8
SAL	2-HYDROXYBENZOIC ACID	A,B	2FN1	0.8