MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01073240

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
VNL	4-HYDROXY-3-METHOXYBENZOATE	A,B,C,D	2AHC	0.73
VNL	4-HYDROXY-3-METHOXYBENZOATE	A	1XLR	0.73
3CA		A,B	2B77	0.78
RWF	R-WARFARIN	A,B	2BXD	0.75
NP4	(5Z)-12-CHLORO-13,15-DIHYDROXY- 4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE- 1,10(3H,11H)-DIONE	A	2IWS	0.75
L41	{4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetic acid	A,B	3D5F	0.73
VXX	VANILLATE	A,B	1WB6	0.72
L1O	4-(2-aminoethoxy)-3,5-dichlorobenzoic acid	A	2VIO	0.75
YZ9	7-HYDROXY-2-OXO-CHROMENE-3-CARBOXYLIC ACID ETHYL ESTER	A,B,C	1GCZ	0.76
SYR	SYRINGATE	A,B	1WB5	0.71
SAL	2-HYDROXYBENZOIC ACID	A	2I2Z	0.78
SAL	2-HYDROXYBENZOIC ACID	A,B,C	1FIQ	0.78
SAL	2-HYDROXYBENZOIC ACID	A	2I30	0.78
SAL	2-HYDROXYBENZOIC ACID	A,B	1PTH	0.78
SAL	2-HYDROXYBENZOIC ACID	A,B	3DEU	0.78
SAL	2-HYDROXYBENZOIC ACID	A,B,C,D	2E1Q	0.78
SAL	2-HYDROXYBENZOIC ACID	A,B	3HGX	0.78
SAL	2-HYDROXYBENZOIC ACID	A,B	3BPX	0.78
SAL	2-HYDROXYBENZOIC ACID	A	1WYG	0.78
SAL	2-HYDROXYBENZOIC ACID	A	1JGS	0.78
SAL	2-HYDROXYBENZOIC ACID	X	1M6E	0.78
SAL	2-HYDROXYBENZOIC ACID	A	3B9M	0.78
SAL	2-HYDROXYBENZOIC ACID	A,B	1FO4	0.78
SAL	2-HYDROXYBENZOIC ACID	A,B	1Y7I	0.78
SAL	2-HYDROXYBENZOIC ACID	A,B	2FN1	0.78
P2N	(5Z)-13-CHLORO-14,16-DIHYDROXY- 3,4,7,8,9,10-HEXAHYDRO-1H-2-BENZOXACYCLOTETRADECINE- 1,11(12H)-DIONE	A	2CGF	0.75
FC2	5-(2,5-DICHLOROPHENYL)-2-FUROIC ACID	A	2EVM	0.77
FLN	2-PHENYL-4H-CHROMEN-4-ONE	A	2G0L	0.75
8CM	8-HYDROXYCOUMARIN	A	2H8Z	0.71
DOB	2,4-DIHYDROXYBENZOIC ACID	A	1DOD	0.75
DOB	2,4-DIHYDROXYBENZOIC ACID	A	1DOE	0.75
DOB	2,4-DIHYDROXYBENZOIC ACID	A	1PBB	0.75
AI7	3-(heptyloxy)benzoic acid	A,B	2O3Z	0.8
34C	(3-CHLORO-4-PROPOXY-PHENYL)-ACETIC ACID	A,B	1HT8	0.82
AIN	2-(ACETYLOXY)BENZOIC ACID	A	3GCL	0.9
AIN	2-(ACETYLOXY)BENZOIC ACID	A	2QQT	0.9
AIN	2-(ACETYLOXY)BENZOIC ACID	A	1TGM	0.9
AIN	2-(ACETYLOXY)BENZOIC ACID	A	2G5J	0.9
AIN	2-(ACETYLOXY)BENZOIC ACID	A	1OXR	0.9
AIN	2-(ACETYLOXY)BENZOIC ACID	A	3HWY	0.9
174	4-CHLORO-BENZOIC ACID	X	3DLP	0.74
174	4-CHLORO-BENZOIC ACID	X	1T5D	0.74
PHB	P-HYDROXYBENZOIC ACID	A	1CJ4	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1DOB	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1PXB	0.71
PHB	P-HYDROXYBENZOIC ACID	A,B	1G1B	0.71
PHB	P-HYDROXYBENZOIC ACID	A,B	1YKJ	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1IUV	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1PBE	0.71
PHB	P-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCC	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1PDH	0.71
PHB	P-HYDROXYBENZOIC ACID	B	2BUW	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1CC4	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1CC6	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1IUW	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1FW9	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1G81	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1BGJ	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1IUX	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1CJ3	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1D7L	0.71
PHB	P-HYDROXYBENZOIC ACID	A	2PHH	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1BGN	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1PXA	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1DOC	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1K0I	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1BKW	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1JD3	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1PXC	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1TT8	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1CJ2	0.71
PHB	P-HYDROXYBENZOIC ACID	A,B	1Q4S	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1BF3	0.71
PHB	P-HYDROXYBENZOIC ACID	B	2BUR	0.71
C1F	3-CARBOXY-4-METHYL-5-PROPYL-2-FURANPROPIONIC	A,B	2BXA	0.72
WRS	4-HYDROXY-3-[(1S,3S)-3-HYDROXY- 1-PHENYLBUTYL]-2H-CHROMEN-2-ONE	A	1HA2	0.72
2HI	(2S,3R)-2,7-DIHYDROXY-3-(4-HYDROXYPHENYL)- 2,3-DIHYDRO-4H-CHROMEN-4-ONE	A	1ZG3	0.71
FSE	3,7,3',4'-TETRAHYDROXYFLAVONE	B	1XO2	0.71
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
EAA	ETHACRYNIC ACID	A,B	3DGQ	0.76
EAA	ETHACRYNIC ACID	A,B	11GS	0.76
EAA	ETHACRYNIC ACID	A,B,C,D	1GSF	0.76
EAA	ETHACRYNIC ACID	A,B	2GSS	0.76
EAA	ETHACRYNIC ACID	A,B	3GSS	0.76
EAA	ETHACRYNIC ACID	A,B	1GSE	0.76
U03	4-HYDROXY-7-METHOXY-3-(1-PHENYL- PROPYL)-CHROMEN-2-ONE	A	3UPJ	0.73
PSO	4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALEN	A,B	1FHY	0.71
PSO	4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALEN	B	204D	0.71
PSO	4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALEN	A,B	2B2B	0.71
PSO	4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALEN	B	1FHZ	0.71
PSO	4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALEN	A	203D	0.71
B21	5-(2-METHOXYPHENYL)-2-FUROIC ACID	A	2Q93	0.77
WRR	4-HYDROXY-3-[(1S,3R)-3-HYDROXY- 1-PHENYLBUTYL]-2H-CHROMEN-2-ONE	A	1H9Z	0.72
ANN	4-METHOXYBENZOIC ACID	A	2B96	0.77
ANN	4-METHOXYBENZOIC ACID	A	2QUE	0.77
ANN	4-METHOXYBENZOIC ACID	A	1SV3	0.77
ANN	4-METHOXYBENZOIC ACID	A	1O2E	0.77
ANN	4-METHOXYBENZOIC ACID	A,B,C,D	3CBI	0.77
A04	5-[2-(TRIFLUOROMETHOXY)PHENYL]- 2-FUROIC ACID	A	2Q94	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	0.73
2PB	2-[(DIOXIDOPHOSPHINO)OXY]BENZOATE	A	1SDE	0.73
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
DIU	2-HYDROXY-3,5-DIIODO-BENZOIC ACID	A,B	3B56	0.74
DIU	2-HYDROXY-3,5-DIIODO-BENZOIC ACID	A	2BXL	0.74
GEN	GENISTEIN	A	1QKM	0.71
GEN	GENISTEIN	A,B	1X7J	0.71
GEN	GENISTEIN	A,B	2QA8	0.71
GEN	GENISTEIN	A	1X7R	0.71
FCD	5-(2-CHLOROPHENYL)FURAN-2-CARBOXYLIC ACID	A	1XNZ	0.77
HOM	7-HYDROXY-4-METHYL-3-(2-HYDROXY- ETHYL)COUMARIN	C,D	1CJF	0.73
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D	3E5U	0.75
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	A,B	3E6B	0.75
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D	3E5X	0.75
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	A,B	2H6B	0.75
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	C	3E6C	0.75
C17	7-[(3-CHLOROBENZYL)OXY]-2-OXO-2H- CHROMENE-4-CARBALDEHYDE	A,B	2V60	0.78
300	2-FORMYL-6-METHOXYPHENYL DIHYDROGEN PHOSPHATE	A	1O41	0.71
DTC	BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2- BENZOPYRONE]	A	2Z9C	0.73
DTC	BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2- BENZOPYRONE]	A,B	1OOQ	0.73
DTC	BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2- BENZOPYRONE]	A,B,C,D,E,F, G,H	2F1O	0.73
TOM	4-(2-METHOXYPHENYL)-2-OXOBUT-3- ENOIC ACID	A	2IMF	0.74
ZZ1	4-METHYL-2H-CHROMEN-2-ONE	A	2CIP	0.72
C2U	3,5-dichloro-2-hydroxybenzoic acid	A	3C3U	0.82
C2U	3,5-dichloro-2-hydroxybenzoic acid	A	3CV7	0.82
NP5	(5E)-12-CHLORO-13,15-DIHYDROXY- 4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE- 1,10(3H,11H)-DIONE	A	2IWU	0.75
A18	5-(2-CHLOROBENZYL)-2-FUROIC ACID	A	2Q96	0.78
34D	3,5-DIHYDROXYBENZOATE	A,B	2BX7	0.71
CHB	3-CHLORO-4-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCH	0.77
T4A		C,D	1KGI	0.72
T4A		A,B	1Z7J	0.72
34Z	3,4-dichlorobenzoate	X	2QVY	0.73
34Z	3,4-dichlorobenzoate	X	2QW0	0.73
BZF	BENZOFURAN	A	182L	0.7
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
QSO	5,7-dihydroxy-3-(4-methoxyphenyl)- 4H-chromen-4-one	A,B	2QYO	0.72
BIK	3,7-DIHYDROXY-2-NAPHTHOIC ACID	A	1U5A	0.7
BIK	3,7-DIHYDROXY-2-NAPHTHOIC ACID	A	1U5C	0.7
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	2PIT	0.73
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	1NQ1	0.73
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	2PIU	0.73
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	2PKL	0.73
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A,B	3D57	0.73
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	1NQ2	0.73
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	2QPY	0.73
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	1NQ0	0.73
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	1NUO	0.73
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A,B	2PIN	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	0.74
U01	3-[1-(4-BROMO-PHENYL)-2-METHYL- PROPYL]-4-HYDROXY-CHROMEN-2-ONE	A	1UPJ	0.71
3HB	3-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCB	0.71
3HB	3-HYDROXYBENZOIC ACID	A	2DKH	0.71
FDS	FLUORESCIN	H	4FAB	0.72
DBH	2,3-DIHYDROXY-BENZOIC ACID	A,B,C	3CMP	0.74
DBH	2,3-DIHYDROXY-BENZOIC ACID	A	1MD9	0.74
DBH	2,3-DIHYDROXY-BENZOIC ACID	A	1MDB	0.74
DBH	2,3-DIHYDROXY-BENZOIC ACID	A,B,C	1L6M	0.74
DBH	2,3-DIHYDROXY-BENZOIC ACID	A,B,C	3BY0	0.74
3BZ	3-chlorobenzoate	X	2QVZ	0.76
3BZ	3-chlorobenzoate	X	2QVX	0.76
DBF	DIBENZOFURAN-4,6-DICARBOXYLIC ACID	B	1DVU	0.75
FLU	2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID	L	1FLR	0.73
FLU	2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID	A,B	1N0S	0.73
FLU	2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID	C,L	1T66	0.73
FLU	2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID	A	1X9Q	0.73
FLU	2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID	A,D	2NMV	0.73
COU	COUMARIN	A	3CRB	0.73
COU	COUMARIN	A	2PMJ	0.73
COU	COUMARIN	A	2H90	0.73
COU	COUMARIN	A,B,C,D	1Z10	0.73
COU	COUMARIN	A	2PWB	0.73
HMY	(1aR,8S,13S,14S,15aR)-5,13,14-trihydroxy- 3-methoxy-8-methyl-8,9,13,14,15,15a- hexahydro-6H-oxireno[k][2]benzoxacyclotetradecine- 6,12(1aH)-dione	A,B	3C9W	0.71
4HC	4-HYDROXY-2H-CHROMEN-2-ONE	A,B	1V5Y	0.77
SAK	(2S)-5-hydroxy-2-(4-hydroxyphenyl)- 7-methoxy-2,3-dihydro-4H-chromen- 4-one	A,B,C,D,E,F	3D04	0.73
VII	2,5-DIPHENYLFURAN-3,4-DICARBOXYLIC ACID	A,B	2GFK	0.76
AGI	5,7-dihydroxy-2-(4-hydroxyphenyl)- 4H-chromen-4-one	A,B,C,D,E,F	3CF9	0.75
SWF	S-WARFARIN	A,B	1OG5	0.75
DFL	2-(4-HYDROXY-PHENYL)-CHROMAN-4- ONE	A,B	1JEP	0.73
4MU	7-hydroxy-4-methyl-2H-chromen-2- one	A,B	3ETS	0.73
MGI	methyl 4-(2,3-dihydroxy-5-methylphenoxy)- 2-hydroxy-6-methylbenzoate	A	2ZA0	0.72
2C2	(2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXYLIC ACID	A	2IME	0.7
2C2	(2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXYLIC ACID	A	2IMD	0.7
DDC	7-HYDROXY-2-PHENYL-CHROMAN-4-ONE	A,B	1FM8	0.73
YRG	(2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acid	A	3CDP	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	0.75
IH5	[4-(4-HYDROXY-3-ISOPROPYLPHENOXY)- 3,5-DIMETHYLPHENYL]ACETIC ACID	A	1NAV	0.77
IH5	[4-(4-HYDROXY-3-ISOPROPYLPHENOXY)- 3,5-DIMETHYLPHENYL]ACETIC ACID	A	1NAX	0.77
DFV	7-HYDROXY-2-(4-HYDROXY-PHENYL)- CHROMAN-4-ONE	B,C	1JX1	0.73
DFV	7-HYDROXY-2-(4-HYDROXY-PHENYL)- CHROMAN-4-ONE	A,B	1JX0	0.73
DFV	7-HYDROXY-2-(4-HYDROXY-PHENYL)- CHROMAN-4-ONE	A,B	1FM7	0.73
HMO	4'-HYDROXY-7-METHOXYISOFLAVONE	A	1FP2	0.72
MPP	3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACID	A,B	2AY3	0.71
HXP	3,6-DIHYDROXY-XANTHENE-9-PROPIONIC ACID	A	1XAN	0.7
NAR	NARINGENIN	A,B	2UXU	0.73
NAR	NARINGENIN	A	2BRT	0.73
NAR	NARINGENIN	A	1CGK	0.73
NAR	NARINGENIN	A,B	1EYQ	0.73
KMP	3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)- 4H-CHROMEN-4-ONE	A,B,C,D	1H1M	0.73
KMP	3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)- 4H-CHROMEN-4-ONE	A	2C1Z	0.73
MYF	5,7-DIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)- 4H-CHROMEN-4-ONE	A	2O65	0.7
GRE	2,6-DIHYDROXYBENZOIC ACID	A,B,C,D	2DVU	0.76
HCC	2',4,4'-TRIHYDROXYCHALCONE	D	1FP1	0.7