MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00022598

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
DDC	7-HYDROXY-2-PHENYL-CHROMAN-4-ONE	A,B	1FM8	0.71
U03	4-HYDROXY-7-METHOXY-3-(1-PHENYL- PROPYL)-CHROMEN-2-ONE	A	3UPJ	0.7
L1O	4-(2-aminoethoxy)-3,5-dichlorobenzoic acid	A	2VIO	0.85
DHB	3,4-DIHYDROXYBENZOIC ACID	B	2BV0	0.72
DHB	3,4-DIHYDROXYBENZOIC ACID	A,B,D,F,H,J,L	1YKP	0.72
DHB	3,4-DIHYDROXYBENZOIC ACID	A	1N8Q	0.72
DHB	3,4-DIHYDROXYBENZOIC ACID	A,B	2BSL	0.72
DHB	3,4-DIHYDROXYBENZOIC ACID	B,D,F,H,J,L	1YKL	0.72
DHB	3,4-DIHYDROXYBENZOIC ACID	B,D	1B4U	0.72
DHB	3,4-DIHYDROXYBENZOIC ACID	A	3DX5	0.72
DHB	3,4-DIHYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCA	0.72
DHB	3,4-DIHYDROXYBENZOIC ACID	B,D,F,H,J,L	1YKN	0.72
DHB	3,4-DIHYDROXYBENZOIC ACID	B	1EOB	0.72
DHB	3,4-DIHYDROXYBENZOIC ACID	A	1PHH	0.72
DHB	3,4-DIHYDROXYBENZOIC ACID	B	2BUV	0.72
AGI	5,7-dihydroxy-2-(4-hydroxyphenyl)- 4H-chromen-4-one	A,B,C,D,E,F	3CF9	0.71
AC6	P-HYDROXYACETOPHENONE	A	2GQ8	0.73
AC6	P-HYDROXYACETOPHENONE	X	2O48	0.73
3HB	3-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCB	0.72
3HB	3-HYDROXYBENZOIC ACID	A	2DKH	0.72
RDC	RADICICOL	A,B	2Q8I	0.77
RDC	RADICICOL	A,B	1U0Z	0.77
RDC	RADICICOL	A	1BGQ	0.77
RDC	RADICICOL	B,D,F,H	2ZBK	0.77
RDC	RADICICOL	A	2HKJ	0.77
RDC	RADICICOL	A,B,C	3CGY	0.77
RDC	RADICICOL	A,B	2WER	0.77
DOB	2,4-DIHYDROXYBENZOIC ACID	A	1DOD	0.73
DOB	2,4-DIHYDROXYBENZOIC ACID	A	1DOE	0.73
DOB	2,4-DIHYDROXYBENZOIC ACID	A	1PBB	0.73
A15	3'-3"-DICHLOROPHENOL-1,8-3H-BENZO[DE]ISOCHROMEN- 1-ONE	A	1TSL	0.77
DBE	bis(4-hydroxyphenyl)methanone	A	2VKU	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
MPP	3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACID	A,B	2AY3	0.73
3CA		A,B	2B77	0.72
C17	7-[(3-CHLOROBENZYL)OXY]-2-OXO-2H- CHROMENE-4-CARBALDEHYDE	A,B	2V60	0.75
C2U	3,5-dichloro-2-hydroxybenzoic acid	A	3C3U	0.77
C2U	3,5-dichloro-2-hydroxybenzoic acid	A	3CV7	0.77
L41	{4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetic acid	A,B	3D5F	0.7
EAA	ETHACRYNIC ACID	A,B	3DGQ	0.81
EAA	ETHACRYNIC ACID	A,B	11GS	0.81
EAA	ETHACRYNIC ACID	A,B,C,D	1GSF	0.81
EAA	ETHACRYNIC ACID	A,B	2GSS	0.81
EAA	ETHACRYNIC ACID	A,B	3GSS	0.81
EAA	ETHACRYNIC ACID	A,B	1GSE	0.81
A18	5-(2-CHLOROBENZYL)-2-FUROIC ACID	A	2Q96	0.8
MPB	4-HYDROXY-BENZOIC ACID METHYL ESTER	B,C,D	2VK0	0.84
MPB	4-HYDROXY-BENZOIC ACID METHYL ESTER	A,B,D	3MTH	0.84
DIC	3,4-DICHLOROISOCOUMARIN	A	1DIC	0.7
34C	(3-CHLORO-4-PROPOXY-PHENYL)-ACETIC ACID	A,B	1HT8	0.87
B21	5-(2-METHOXYPHENYL)-2-FUROIC ACID	A	2Q93	0.72
TN3	3-CHLORO-4-(4-CHLORO-2-HYDROXYPHENOXY)- N-METHYLBENZAMIDE	A,B	1ZXB	0.7
P2N	(5Z)-13-CHLORO-14,16-DIHYDROXY- 3,4,7,8,9,10-HEXAHYDRO-1H-2-BENZOXACYCLOTETRADECINE- 1,11(12H)-DIONE	A	2CGF	0.77
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
WRR	4-HYDROXY-3-[(1S,3R)-3-HYDROXY- 1-PHENYLBUTYL]-2H-CHROMEN-2-ONE	A	1H9Z	0.7
AIN	2-(ACETYLOXY)BENZOIC ACID	A	3GCL	0.76
AIN	2-(ACETYLOXY)BENZOIC ACID	A	2QQT	0.76
AIN	2-(ACETYLOXY)BENZOIC ACID	A	1TGM	0.76
AIN	2-(ACETYLOXY)BENZOIC ACID	A	2G5J	0.76
AIN	2-(ACETYLOXY)BENZOIC ACID	A	1OXR	0.76
AIN	2-(ACETYLOXY)BENZOIC ACID	A	3HWY	0.76
174	4-CHLORO-BENZOIC ACID	X	3DLP	0.75
174	4-CHLORO-BENZOIC ACID	X	1T5D	0.75
WRS	4-HYDROXY-3-[(1S,3S)-3-HYDROXY- 1-PHENYLBUTYL]-2H-CHROMEN-2-ONE	A	1HA2	0.7
NP4	(5Z)-12-CHLORO-13,15-DIHYDROXY- 4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE- 1,10(3H,11H)-DIONE	A	2IWS	0.77
TOM	4-(2-METHOXYPHENYL)-2-OXOBUT-3- ENOIC ACID	A	2IMF	0.74
34Z	3,4-dichlorobenzoate	X	2QVY	0.73
34Z	3,4-dichlorobenzoate	X	2QW0	0.73
QSO	5,7-dihydroxy-3-(4-methoxyphenyl)- 4H-chromen-4-one	A,B	2QYO	0.72
SYR	SYRINGATE	A,B	1WB5	0.77
FHB	3-FLUORO-4-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCF	0.76
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
4FE	(2E)-3-(3-hydroxy-4-methoxyphenyl)prop- 2-enoic acid	A	3CBG	0.7
4HP	4-HYDROXYPHENYLACETATE	A,B,C,D	2JBT	0.71
4HP	4-HYDROXYPHENYLACETATE	A	2YYJ	0.71
4HP	4-HYDROXYPHENYLACETATE	A	2YYM	0.71
4HP	4-HYDROXYPHENYLACETATE	B	1AI6	0.71
4HP	4-HYDROXYPHENYLACETATE	M,N,O,P,Q,R	3PCG	0.71
DFL	2-(4-HYDROXY-PHENYL)-CHROMAN-4- ONE	A,B	1JEP	0.72
YRG	(2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acid	A	3CDP	0.74
3BZ	3-chlorobenzoate	X	2QVZ	0.76
3BZ	3-chlorobenzoate	X	2QVX	0.76
SAL	2-HYDROXYBENZOIC ACID	A	2I2Z	0.71
SAL	2-HYDROXYBENZOIC ACID	A,B,C	1FIQ	0.71
SAL	2-HYDROXYBENZOIC ACID	A	2I30	0.71
SAL	2-HYDROXYBENZOIC ACID	A,B	1PTH	0.71
SAL	2-HYDROXYBENZOIC ACID	A,B	3DEU	0.71
SAL	2-HYDROXYBENZOIC ACID	A,B,C,D	2E1Q	0.71
SAL	2-HYDROXYBENZOIC ACID	A,B	3HGX	0.71
SAL	2-HYDROXYBENZOIC ACID	A,B	3BPX	0.71
SAL	2-HYDROXYBENZOIC ACID	A	1WYG	0.71
SAL	2-HYDROXYBENZOIC ACID	A	1JGS	0.71
SAL	2-HYDROXYBENZOIC ACID	X	1M6E	0.71
SAL	2-HYDROXYBENZOIC ACID	A	3B9M	0.71
SAL	2-HYDROXYBENZOIC ACID	A,B	1FO4	0.71
SAL	2-HYDROXYBENZOIC ACID	A,B	1Y7I	0.71
SAL	2-HYDROXYBENZOIC ACID	A,B	2FN1	0.71
3HP	3-HYDROXYPHENYLACETATE	M,N,O,P,Q,R	3PCE	0.72
M1S	(5E)-14-CHLORO-15,17-DIHYDROXY- 4,7,8,9,10,11-HEXAHYDRO-2-BENZOXACYCLOPENTADECINE- 1,12(3H,13H)-DIONE	A	2IWX	0.77
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A,C,E	1KYZ	0.7
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	1JT2	0.7
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	6ATJ	0.7
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A,B	1GKL	0.7
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	1GWT	0.7
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A,B,C	2BJH	0.7
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	1GW2	0.7
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	3CBG	0.7
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	2BNJ	0.7
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A,B	1UWC	0.7
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	7ATJ	0.7
FC2	5-(2,5-DICHLOROPHENYL)-2-FUROIC ACID	A	2EVM	0.79
DFV	7-HYDROXY-2-(4-HYDROXY-PHENYL)- CHROMAN-4-ONE	B,C	1JX1	0.7
DFV	7-HYDROXY-2-(4-HYDROXY-PHENYL)- CHROMAN-4-ONE	A,B	1JX0	0.7
DFV	7-HYDROXY-2-(4-HYDROXY-PHENYL)- CHROMAN-4-ONE	A,B	1FM7	0.7
SXX	SINAPINATE	A,B	1WB4	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1CJ4	0.78
PHB	P-HYDROXYBENZOIC ACID	A	1DOB	0.78
PHB	P-HYDROXYBENZOIC ACID	A	1PXB	0.78
PHB	P-HYDROXYBENZOIC ACID	A,B	1G1B	0.78
PHB	P-HYDROXYBENZOIC ACID	A,B	1YKJ	0.78
PHB	P-HYDROXYBENZOIC ACID	A	1IUV	0.78
PHB	P-HYDROXYBENZOIC ACID	A	1PBE	0.78
PHB	P-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCC	0.78
PHB	P-HYDROXYBENZOIC ACID	A	1PDH	0.78
PHB	P-HYDROXYBENZOIC ACID	B	2BUW	0.78
PHB	P-HYDROXYBENZOIC ACID	A	1CC4	0.78
PHB	P-HYDROXYBENZOIC ACID	A	1CC6	0.78
PHB	P-HYDROXYBENZOIC ACID	A	1IUW	0.78
PHB	P-HYDROXYBENZOIC ACID	A	1FW9	0.78
PHB	P-HYDROXYBENZOIC ACID	A	1G81	0.78
PHB	P-HYDROXYBENZOIC ACID	A	1BGJ	0.78
PHB	P-HYDROXYBENZOIC ACID	A	1IUX	0.78
PHB	P-HYDROXYBENZOIC ACID	A	1CJ3	0.78
PHB	P-HYDROXYBENZOIC ACID	A	1D7L	0.78
PHB	P-HYDROXYBENZOIC ACID	A	2PHH	0.78
PHB	P-HYDROXYBENZOIC ACID	A	1BGN	0.78
PHB	P-HYDROXYBENZOIC ACID	A	1PXA	0.78
PHB	P-HYDROXYBENZOIC ACID	A	1DOC	0.78
PHB	P-HYDROXYBENZOIC ACID	A	1K0I	0.78
PHB	P-HYDROXYBENZOIC ACID	A	1BKW	0.78
PHB	P-HYDROXYBENZOIC ACID	A	1JD3	0.78
PHB	P-HYDROXYBENZOIC ACID	A	1PXC	0.78
PHB	P-HYDROXYBENZOIC ACID	A	1TT8	0.78
PHB	P-HYDROXYBENZOIC ACID	A	1CJ2	0.78
PHB	P-HYDROXYBENZOIC ACID	A,B	1Q4S	0.78
PHB	P-HYDROXYBENZOIC ACID	A	1BF3	0.78
PHB	P-HYDROXYBENZOIC ACID	B	2BUR	0.78
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D	3E5U	0.82
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	A,B	3E6B	0.82
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D	3E5X	0.82
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	A,B	2H6B	0.82
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	C	3E6C	0.82
AI7	3-(heptyloxy)benzoic acid	A,B	2O3Z	0.77
GEN	GENISTEIN	A	1QKM	0.72
GEN	GENISTEIN	A,B	1X7J	0.72
GEN	GENISTEIN	A,B	2QA8	0.72
GEN	GENISTEIN	A	1X7R	0.72
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
HMO	4'-HYDROXY-7-METHOXYISOFLAVONE	A	1FP2	0.72
NPS	(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid	A	2VDB	0.7
OAC	TRANS-O-HYDROXY-ALPHA-METHYL CINNAMATE	C	3GCH	0.71
CHB	3-CHLORO-4-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCH	0.89
V55	4-hydroxy-3-methoxybenzaldehyde	B,D,E,F	2VSS	0.74
V55	4-hydroxy-3-methoxybenzaldehyde	A,B,D,E,F	2VSU	0.74
SAK	(2S)-5-hydroxy-2-(4-hydroxyphenyl)- 7-methoxy-2,3-dihydro-4H-chromen- 4-one	A,B,C,D,E,F	3D04	0.7
FCD	5-(2-CHLOROPHENYL)FURAN-2-CARBOXYLIC ACID	A	1XNZ	0.79
IHB	3-IODO-4-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCI	0.76
FC3	5-[2-(TRIFLUOROMETHYL)PHENYL]-2- FUROIC ACID	A	2EVC	0.71
VNL	4-HYDROXY-3-METHOXYBENZOATE	A,B,C,D	2AHC	0.79
VNL	4-HYDROXY-3-METHOXYBENZOATE	A	1XLR	0.79
NP5	(5E)-12-CHLORO-13,15-DIHYDROXY- 4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE- 1,10(3H,11H)-DIONE	A	2IWU	0.77
VXX	VANILLATE	A,B	1WB6	0.8
ANN	4-METHOXYBENZOIC ACID	A	2B96	0.88
ANN	4-METHOXYBENZOIC ACID	A	2QUE	0.88
ANN	4-METHOXYBENZOIC ACID	A	1SV3	0.88
ANN	4-METHOXYBENZOIC ACID	A	1O2E	0.88
ANN	4-METHOXYBENZOIC ACID	A,B,C,D	3CBI	0.88
FLU	2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID	L	1FLR	0.7
FLU	2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID	A,B	1N0S	0.7
FLU	2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID	C,L	1T66	0.7
FLU	2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID	A	1X9Q	0.7
FLU	2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID	A,D	2NMV	0.7