MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02436269

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
DTC	BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2- BENZOPYRONE]	A	2Z9C	0.72
DTC	BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2- BENZOPYRONE]	A,B	1OOQ	0.72
DTC	BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2- BENZOPYRONE]	A,B,C,D,E,F, G,H	2F1O	0.72
AC6	P-HYDROXYACETOPHENONE	A	2GQ8	0.73
AC6	P-HYDROXYACETOPHENONE	X	2O48	0.73
DFL	2-(4-HYDROXY-PHENYL)-CHROMAN-4- ONE	A,B	1JEP	0.71
MPP	3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACID	A,B	2AY3	0.74
MTJ	N,O-DIMETHYL-L-TYROSINE	A,B	1ATL	0.73
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
DBE	bis(4-hydroxyphenyl)methanone	A	2VKU	0.71
3HB	3-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCB	0.7
3HB	3-HYDROXYBENZOIC ACID	A	2DKH	0.7
ZZ1	4-METHYL-2H-CHROMEN-2-ONE	A	2CIP	0.71
IHB	3-IODO-4-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCI	0.75
SXX	SINAPINATE	A,B	1WB4	0.7
NRO	3-[5-(2-nitropent-1-en-1-yl)furan- 2-yl]benzoic acid	A,B	2ZK5	0.7
FLN	2-PHENYL-4H-CHROMEN-4-ONE	A	2G0L	0.72
BZM	BENZOIC ACID PHENYLMETHYLESTER	A,B	1DZM	0.72
DOB	2,4-DIHYDROXYBENZOIC ACID	A	1DOD	0.72
DOB	2,4-DIHYDROXYBENZOIC ACID	A	1DOE	0.72
DOB	2,4-DIHYDROXYBENZOIC ACID	A	1PBB	0.72
L41	{4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetic acid	A,B	3D5F	0.7
TOM	4-(2-METHOXYPHENYL)-2-OXOBUT-3- ENOIC ACID	A	2IMF	0.75
667	6-OXO-8,9,10,11-TETRAHYDRO-7H-CYCLOHEPTA[C][1]BENZOPYRAN- 3-O-SULFAMATE	A	1TTM	0.72
VNL	4-HYDROXY-3-METHOXYBENZOATE	A,B,C,D	2AHC	0.78
VNL	4-HYDROXY-3-METHOXYBENZOATE	A	1XLR	0.78
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
B21	5-(2-METHOXYPHENYL)-2-FUROIC ACID	A	2Q93	0.72
ZHZ	2-(4-METHOXYPHENYL)ACETAMIDE	D,H	2HKR	0.75
FHB	3-FLUORO-4-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCF	0.75
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
NPS	(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid	A	2VDB	0.71
WRR	4-HYDROXY-3-[(1S,3R)-3-HYDROXY- 1-PHENYLBUTYL]-2H-CHROMEN-2-ONE	A	1H9Z	0.7
4MP	1-(4-METHOXYBENZOYL)-2-PYRROLIDINONE	A,B	2AL5	0.76
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
L1O	4-(2-aminoethoxy)-3,5-dichlorobenzoic acid	A	2VIO	0.72
R71	[4-({6-[ALLYL(METHYL)AMINO]HEXYL}OXY)- 2-FLUOROPHENYL](4-BROMOPHENYL)METHANONE	A	1W6J	0.72
R71	[4-({6-[ALLYL(METHYL)AMINO]HEXYL}OXY)- 2-FLUOROPHENYL](4-BROMOPHENYL)METHANONE	A,B,C	1GSZ	0.72
WRS	4-HYDROXY-3-[(1S,3S)-3-HYDROXY- 1-PHENYLBUTYL]-2H-CHROMEN-2-ONE	A	1HA2	0.7
COU	COUMARIN	A	3CRB	0.71
COU	COUMARIN	A	2PMJ	0.71
COU	COUMARIN	A	2H90	0.71
COU	COUMARIN	A,B,C,D	1Z10	0.71
COU	COUMARIN	A	2PWB	0.71
HBA	P-HYDROXYBENZALDEHYDE	A	1K03	0.71
HBA	P-HYDROXYBENZALDEHYDE	A,B	2VQ5	0.71
HBA	P-HYDROXYBENZALDEHYDE	A,B	1EB9	0.71
HBA	P-HYDROXYBENZALDEHYDE	A	2GQ9	0.71
HBA	P-HYDROXYBENZALDEHYDE	A,B	1Z42	0.71
HBA	P-HYDROXYBENZALDEHYDE	A	1OYB	0.71
BZF	BENZOFURAN	A	182L	0.7
AGI	5,7-dihydroxy-2-(4-hydroxyphenyl)- 4H-chromen-4-one	A,B,C,D,E,F	3CF9	0.7
QSO	5,7-dihydroxy-3-(4-methoxyphenyl)- 4H-chromen-4-one	A,B	2QYO	0.72
SYR	SYRINGATE	A,B	1WB5	0.77
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
3HP	3-HYDROXYPHENYLACETATE	M,N,O,P,Q,R	3PCE	0.72
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
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
DHB	3,4-DIHYDROXYBENZOIC ACID	B	2BV0	0.71
DHB	3,4-DIHYDROXYBENZOIC ACID	A,B,D,F,H,J,L	1YKP	0.71
DHB	3,4-DIHYDROXYBENZOIC ACID	A	1N8Q	0.71
DHB	3,4-DIHYDROXYBENZOIC ACID	A,B	2BSL	0.71
DHB	3,4-DIHYDROXYBENZOIC ACID	B,D,F,H,J,L	1YKL	0.71
DHB	3,4-DIHYDROXYBENZOIC ACID	B,D	1B4U	0.71
DHB	3,4-DIHYDROXYBENZOIC ACID	A	3DX5	0.71
DHB	3,4-DIHYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCA	0.71
DHB	3,4-DIHYDROXYBENZOIC ACID	B,D,F,H,J,L	1YKN	0.71
DHB	3,4-DIHYDROXYBENZOIC ACID	B	1EOB	0.71
DHB	3,4-DIHYDROXYBENZOIC ACID	A	1PHH	0.71
DHB	3,4-DIHYDROXYBENZOIC ACID	B	2BUV	0.71
SB8	2-(3-BENZOYLPHENOXY)ETHYL(HYDROXY)FORMAMIDE	A	2AIA	0.7
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
R88	(4-BROMOPHENYL)[4-({(2E)-4-[CYCLOPROPYL(METHYL)AMINO]BUT- 2-ENYL}OXY)PHENYL]METHANONE	A,B,C	1H36	0.72
HMO	4'-HYDROXY-7-METHOXYISOFLAVONE	A	1FP2	0.72
OAC	TRANS-O-HYDROXY-ALPHA-METHYL CINNAMATE	C	3GCH	0.71
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
AI7	3-(heptyloxy)benzoic acid	A,B	2O3Z	0.78
3MB	3-METHOXYBENZAMIDE	A	3PAX	0.75
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
PHB	P-HYDROXYBENZOIC ACID	A	1CJ4	0.77
PHB	P-HYDROXYBENZOIC ACID	A	1DOB	0.77
PHB	P-HYDROXYBENZOIC ACID	A	1PXB	0.77
PHB	P-HYDROXYBENZOIC ACID	A,B	1G1B	0.77
PHB	P-HYDROXYBENZOIC ACID	A,B	1YKJ	0.77
PHB	P-HYDROXYBENZOIC ACID	A	1IUV	0.77
PHB	P-HYDROXYBENZOIC ACID	A	1PBE	0.77
PHB	P-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCC	0.77
PHB	P-HYDROXYBENZOIC ACID	A	1PDH	0.77
PHB	P-HYDROXYBENZOIC ACID	B	2BUW	0.77
PHB	P-HYDROXYBENZOIC ACID	A	1CC4	0.77
PHB	P-HYDROXYBENZOIC ACID	A	1CC6	0.77
PHB	P-HYDROXYBENZOIC ACID	A	1IUW	0.77
PHB	P-HYDROXYBENZOIC ACID	A	1FW9	0.77
PHB	P-HYDROXYBENZOIC ACID	A	1G81	0.77
PHB	P-HYDROXYBENZOIC ACID	A	1BGJ	0.77
PHB	P-HYDROXYBENZOIC ACID	A	1IUX	0.77
PHB	P-HYDROXYBENZOIC ACID	A	1CJ3	0.77
PHB	P-HYDROXYBENZOIC ACID	A	1D7L	0.77
PHB	P-HYDROXYBENZOIC ACID	A	2PHH	0.77
PHB	P-HYDROXYBENZOIC ACID	A	1BGN	0.77
PHB	P-HYDROXYBENZOIC ACID	A	1PXA	0.77
PHB	P-HYDROXYBENZOIC ACID	A	1DOC	0.77
PHB	P-HYDROXYBENZOIC ACID	A	1K0I	0.77
PHB	P-HYDROXYBENZOIC ACID	A	1BKW	0.77
PHB	P-HYDROXYBENZOIC ACID	A	1JD3	0.77
PHB	P-HYDROXYBENZOIC ACID	A	1PXC	0.77
PHB	P-HYDROXYBENZOIC ACID	A	1TT8	0.77
PHB	P-HYDROXYBENZOIC ACID	A	1CJ2	0.77
PHB	P-HYDROXYBENZOIC ACID	A,B	1Q4S	0.77
PHB	P-HYDROXYBENZOIC ACID	A	1BF3	0.77
PHB	P-HYDROXYBENZOIC ACID	B	2BUR	0.77