MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02091587

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
3CA		A,B	2B77	0.78
M1S	(5E)-14-CHLORO-15,17-DIHYDROXY- 4,7,8,9,10,11-HEXAHYDRO-2-BENZOXACYCLOPENTADECINE- 1,12(3H,13H)-DIONE	A	2IWX	0.81
3BZ	3-chlorobenzoate	X	2QVZ	0.72
3BZ	3-chlorobenzoate	X	2QVX	0.72
HCC	2',4,4'-TRIHYDROXYCHALCONE	D	1FP1	0.83
IHB	3-IODO-4-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCI	0.73
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
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
DFV	7-HYDROXY-2-(4-HYDROXY-PHENYL)- CHROMAN-4-ONE	B,C	1JX1	0.71
DFV	7-HYDROXY-2-(4-HYDROXY-PHENYL)- CHROMAN-4-ONE	A,B	1JX0	0.71
DFV	7-HYDROXY-2-(4-HYDROXY-PHENYL)- CHROMAN-4-ONE	A,B	1FM7	0.71
NAR	NARINGENIN	A,B	2UXU	0.71
NAR	NARINGENIN	A	2BRT	0.71
NAR	NARINGENIN	A	1CGK	0.71
NAR	NARINGENIN	A,B	1EYQ	0.71
174	4-CHLORO-BENZOIC ACID	X	3DLP	0.7
174	4-CHLORO-BENZOIC ACID	X	1T5D	0.7
KMP	3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)- 4H-CHROMEN-4-ONE	A,B,C,D	1H1M	0.71
KMP	3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)- 4H-CHROMEN-4-ONE	A	2C1Z	0.71
34C	(3-CHLORO-4-PROPOXY-PHENYL)-ACETIC ACID	A,B	1HT8	0.71
DIU	2-HYDROXY-3,5-DIIODO-BENZOIC ACID	A,B	3B56	0.73
DIU	2-HYDROXY-3,5-DIIODO-BENZOIC ACID	A	2BXL	0.73
FHB	3-FLUORO-4-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCF	0.73
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A,B	2RH4	0.76
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A,B	3CSD	0.76
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A,B	2RHR	0.76
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A	1F0Q	0.76
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A	3C13	0.76
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A,B	2RHC	0.76
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A	3BQC	0.76
NP5	(5E)-12-CHLORO-13,15-DIHYDROXY- 4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE- 1,10(3H,11H)-DIONE	A	2IWU	0.81
SN1	2,4-DIHYDROXY-TRANS CINNAMIC ACID	1	1K2I	0.71
34D	3,5-DIHYDROXYBENZOATE	A,B	2BX7	0.73
G50	3-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)PROPAN- 1-ONE	A,B	2UXI	0.81
SAK	(2S)-5-hydroxy-2-(4-hydroxyphenyl)- 7-methoxy-2,3-dihydro-4H-chromen- 4-one	A,B,C,D,E,F	3D04	0.71
C2U	3,5-dichloro-2-hydroxybenzoic acid	A	3C3U	0.86
C2U	3,5-dichloro-2-hydroxybenzoic acid	A	3CV7	0.86
GRE	2,6-DIHYDROXYBENZOIC ACID	A,B,C,D	2DVU	0.78
MPB	4-HYDROXY-BENZOIC ACID METHYL ESTER	B,C,D	2VK0	0.73
MPB	4-HYDROXY-BENZOIC ACID METHYL ESTER	A,B,D	3MTH	0.73
AC6	P-HYDROXYACETOPHENONE	A	2GQ8	0.77
AC6	P-HYDROXYACETOPHENONE	X	2O48	0.77
HMO	4'-HYDROXY-7-METHOXYISOFLAVONE	A	1FP2	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1CJ4	0.75
PHB	P-HYDROXYBENZOIC ACID	A	1DOB	0.75
PHB	P-HYDROXYBENZOIC ACID	A	1PXB	0.75
PHB	P-HYDROXYBENZOIC ACID	A,B	1G1B	0.75
PHB	P-HYDROXYBENZOIC ACID	A,B	1YKJ	0.75
PHB	P-HYDROXYBENZOIC ACID	A	1IUV	0.75
PHB	P-HYDROXYBENZOIC ACID	A	1PBE	0.75
PHB	P-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCC	0.75
PHB	P-HYDROXYBENZOIC ACID	A	1PDH	0.75
PHB	P-HYDROXYBENZOIC ACID	B	2BUW	0.75
PHB	P-HYDROXYBENZOIC ACID	A	1CC4	0.75
PHB	P-HYDROXYBENZOIC ACID	A	1CC6	0.75
PHB	P-HYDROXYBENZOIC ACID	A	1IUW	0.75
PHB	P-HYDROXYBENZOIC ACID	A	1FW9	0.75
PHB	P-HYDROXYBENZOIC ACID	A	1G81	0.75
PHB	P-HYDROXYBENZOIC ACID	A	1BGJ	0.75
PHB	P-HYDROXYBENZOIC ACID	A	1IUX	0.75
PHB	P-HYDROXYBENZOIC ACID	A	1CJ3	0.75
PHB	P-HYDROXYBENZOIC ACID	A	1D7L	0.75
PHB	P-HYDROXYBENZOIC ACID	A	2PHH	0.75
PHB	P-HYDROXYBENZOIC ACID	A	1BGN	0.75
PHB	P-HYDROXYBENZOIC ACID	A	1PXA	0.75
PHB	P-HYDROXYBENZOIC ACID	A	1DOC	0.75
PHB	P-HYDROXYBENZOIC ACID	A	1K0I	0.75
PHB	P-HYDROXYBENZOIC ACID	A	1BKW	0.75
PHB	P-HYDROXYBENZOIC ACID	A	1JD3	0.75
PHB	P-HYDROXYBENZOIC ACID	A	1PXC	0.75
PHB	P-HYDROXYBENZOIC ACID	A	1TT8	0.75
PHB	P-HYDROXYBENZOIC ACID	A	1CJ2	0.75
PHB	P-HYDROXYBENZOIC ACID	A,B	1Q4S	0.75
PHB	P-HYDROXYBENZOIC ACID	A	1BF3	0.75
PHB	P-HYDROXYBENZOIC ACID	B	2BUR	0.75
1FL	5-(2,4-DIFLUOROPHENYL)-2-HYDROXY- BENZOIC ACID	A,B	2BXE	0.71
1FL	5-(2,4-DIFLUOROPHENYL)-2-HYDROXY- BENZOIC ACID	A,B	3D2T	0.71
3HP	3-HYDROXYPHENYLACETATE	M,N,O,P,Q,R	3PCE	0.7
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	0.75
FLV	FLAVIOLIN	A	1ZDW	0.78
FLV	FLAVIOLIN	A	1T93	0.78
FLV	FLAVIOLIN	A	2D09	0.78
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
DDC	7-HYDROXY-2-PHENYL-CHROMAN-4-ONE	A,B	1FM8	0.72
GEN	GENISTEIN	A	1QKM	0.73
GEN	GENISTEIN	A,B	1X7J	0.73
GEN	GENISTEIN	A,B	2QA8	0.73
GEN	GENISTEIN	A	1X7R	0.73
JUG	5-hydroxynaphthalene-1,4-dione	A,B,C,D,E,F	3B7J	0.73
NP4	(5Z)-12-CHLORO-13,15-DIHYDROXY- 4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE- 1,10(3H,11H)-DIONE	A	2IWS	0.81
AGI	5,7-dihydroxy-2-(4-hydroxyphenyl)- 4H-chromen-4-one	A,B,C,D,E,F	3CF9	0.73
DBH	2,3-DIHYDROXY-BENZOIC ACID	A,B,C	3CMP	0.7
DBH	2,3-DIHYDROXY-BENZOIC ACID	A	1MD9	0.7
DBH	2,3-DIHYDROXY-BENZOIC ACID	A	1MDB	0.7
DBH	2,3-DIHYDROXY-BENZOIC ACID	A,B,C	1L6M	0.7
DBH	2,3-DIHYDROXY-BENZOIC ACID	A,B,C	3BY0	0.7
OAC	TRANS-O-HYDROXY-ALPHA-METHYL CINNAMATE	C	3GCH	0.71
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D	3E5U	0.8
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	A,B	3E6B	0.8
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D	3E5X	0.8
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	A,B	2H6B	0.8
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	C	3E6C	0.8
DBE	bis(4-hydroxyphenyl)methanone	A	2VKU	0.75
CHB	3-CHLORO-4-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCH	0.85
DOB	2,4-DIHYDROXYBENZOIC ACID	A	1DOD	0.81
DOB	2,4-DIHYDROXYBENZOIC ACID	A	1DOE	0.81
DOB	2,4-DIHYDROXYBENZOIC ACID	A	1PBB	0.81
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
QSO	5,7-dihydroxy-3-(4-methoxyphenyl)- 4H-chromen-4-one	A,B	2QYO	0.73
P2N	(5Z)-13-CHLORO-14,16-DIHYDROXY- 3,4,7,8,9,10-HEXAHYDRO-1H-2-BENZOXACYCLOTETRADECINE- 1,11(12H)-DIONE	A	2CGF	0.81