MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02252187

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
MN7	1-CARBOXY-4-ISOBUTYLAMINOMETHYLBENZENE	N	1NLO	0.74
R71	[4-({6-[ALLYL(METHYL)AMINO]HEXYL}OXY)- 2-FLUOROPHENYL](4-BROMOPHENYL)METHANONE	A	1W6J	0.73
R71	[4-({6-[ALLYL(METHYL)AMINO]HEXYL}OXY)- 2-FLUOROPHENYL](4-BROMOPHENYL)METHANONE	A,B,C	1GSZ	0.73
ZYA	BENZOYL-TYROSINE-ALANINE-METHYL KETONE	A	1AIM	0.7
GHP	4-HYDROXYPHENYLGLYCINE	A	1DSR	0.73
MOY	[(4R)-4-(3-HYDROXYPHENYL)-1,6-DIMETHYL- 2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN- 5-YL](PHENYL)METHANONE	A,B	2IEH	0.73
1FL	5-(2,4-DIFLUOROPHENYL)-2-HYDROXY- BENZOIC ACID	A,B	2BXE	0.7
1FL	5-(2,4-DIFLUOROPHENYL)-2-HYDROXY- BENZOIC ACID	A,B	3D2T	0.7
SAL	2-HYDROXYBENZOIC ACID	A	2I2Z	0.72
SAL	2-HYDROXYBENZOIC ACID	A,B,C	1FIQ	0.72
SAL	2-HYDROXYBENZOIC ACID	A	2I30	0.72
SAL	2-HYDROXYBENZOIC ACID	A,B	1PTH	0.72
SAL	2-HYDROXYBENZOIC ACID	A,B	3DEU	0.72
SAL	2-HYDROXYBENZOIC ACID	A,B,C,D	2E1Q	0.72
SAL	2-HYDROXYBENZOIC ACID	A,B	3HGX	0.72
SAL	2-HYDROXYBENZOIC ACID	A,B	3BPX	0.72
SAL	2-HYDROXYBENZOIC ACID	A	1WYG	0.72
SAL	2-HYDROXYBENZOIC ACID	A	1JGS	0.72
SAL	2-HYDROXYBENZOIC ACID	X	1M6E	0.72
SAL	2-HYDROXYBENZOIC ACID	A	3B9M	0.72
SAL	2-HYDROXYBENZOIC ACID	A,B	1FO4	0.72
SAL	2-HYDROXYBENZOIC ACID	A,B	1Y7I	0.72
SAL	2-HYDROXYBENZOIC ACID	A,B	2FN1	0.72
0E4	N-acetyl-L-tyrosyl-L-valyl-L-alanyl- L-aspartic acid	B,D	3GJS	0.7
E20	1-BENZYL-4-[(5,6-DIMETHOXY-1-INDANON- 2-YL)METHYL]PIPERIDINE	A	1EVE	0.74
247	(3R)-3-amino-2,2-difluoro-3-(4- hydroxyphenyl)propanoic acid	A,B	2QVE	0.71
B3Y	(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACID	A	3HF0	0.75
B3Y	(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACID	A	2OXK	0.75
B3Y	(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACID	A,B,C	2OXJ	0.75
OAC	TRANS-O-HYDROXY-ALPHA-METHYL CINNAMATE	C	3GCH	0.74
BJH	1(R)-1-ACETAMIDO-2-(3-CARBOXY-2- HYDROXYPHENYL)ETHYL BORONIC ACID	A	1ERQ	0.75
AED	4-(2-aminoethyl)-2-cyclohexylphenol	A	3BUH	0.71
BCG	3-(BENZOYLOXY)-8-METHYL-8-AZABICYCLO[3.2.1]OCTANE- 2-CARBOXYLIC ACID	H	1QYG	0.71
HBA	P-HYDROXYBENZALDEHYDE	A	1K03	0.77
HBA	P-HYDROXYBENZALDEHYDE	A,B	2VQ5	0.77
HBA	P-HYDROXYBENZALDEHYDE	A,B	1EB9	0.77
HBA	P-HYDROXYBENZALDEHYDE	A	2GQ9	0.77
HBA	P-HYDROXYBENZALDEHYDE	A,B	1Z42	0.77
HBA	P-HYDROXYBENZALDEHYDE	A	1OYB	0.77
TYI	3,5-DIIODOTYROSINE	A	2D8W	0.7
TYI	3,5-DIIODOTYROSINE	E,I	1CTP	0.7
TYI	3,5-DIIODOTYROSINE	A	2D97	0.7
TYI	3,5-DIIODOTYROSINE	A	2AXE	0.7
TYI	3,5-DIIODOTYROSINE	A	2D8O	0.7
TYI	3,5-DIIODOTYROSINE	A,B	2VLW	0.7
TYI	3,5-DIIODOTYROSINE	A,B	2C3V	0.7
TYI	3,5-DIIODOTYROSINE	A	2D98	0.7
TYI	3,5-DIIODOTYROSINE	A	2NOO	0.7
TYI	3,5-DIIODOTYROSINE	A	2D8P	0.7
TYI	3,5-DIIODOTYROSINE	A,B,C,D,E,F, G,H	3GH8	0.7
TYI	3,5-DIIODOTYROSINE	A,B,C,D	1L0S	0.7
ANN	4-METHOXYBENZOIC ACID	A	2B96	0.73
ANN	4-METHOXYBENZOIC ACID	A	2QUE	0.73
ANN	4-METHOXYBENZOIC ACID	A	1SV3	0.73
ANN	4-METHOXYBENZOIC ACID	A	1O2E	0.73
ANN	4-METHOXYBENZOIC ACID	A,B,C,D	3CBI	0.73
YOF	3-FLUOROTYROSINE	A,B	1XIL	0.73
YOF	3-FLUOROTYROSINE	A,B	1XDC	0.73
YOF	3-FLUOROTYROSINE	A	1RRX	0.73
YOF	3-FLUOROTYROSINE	A,B	3FYG	0.73
AC6	P-HYDROXYACETOPHENONE	A	2GQ8	0.84
AC6	P-HYDROXYACETOPHENONE	X	2O48	0.84
IHB	3-IODO-4-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCI	0.75
BJP	(1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID	A	1ERO	0.72
HPP	HYDROXYPHENYL PROPIONIC ACID	A,B	2TPL	0.74
HPP	HYDROXYPHENYL PROPIONIC ACID	A,B,C,D	3GGP	0.74
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
OMD	2-(3,6-DIHYDROXYPHENYL)ACETIC ACID	A,B	1AJP	0.7
SHA	SALICYLHYDROXAMIC ACID	X	1V0H	0.72
SHA	SALICYLHYDROXAMIC ACID	A	2QPK	0.72
SHA	SALICYLHYDROXAMIC ACID	A	3FNL	0.72
SHA	SALICYLHYDROXAMIC ACID	A	3GCJ	0.72
SHA	SALICYLHYDROXAMIC ACID	A	1CK6	0.72
PY9	4-{[(2R)-2-(2-methylphenyl)pyrrolidin- 1-yl]carbonyl}benzene-1,3-diol	A,B	3EKR	0.74
DBE	bis(4-hydroxyphenyl)methanone	A	2VKU	0.82
FHB	3-FLUORO-4-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCF	0.75
AEF	4-(2-aminoethyl)phenol	A	3BRA	0.71
LOB	LOBELINE	A,B,C,D,E,F, G,H,I,J	2BYS	0.81
ENO	3-(4-HYDROXY-PHENYL)PYRUVIC ACID	H,I	1A2C	0.74
ENO	3-(4-HYDROXY-PHENYL)PYRUVIC ACID	A,B,C	1CA7	0.74
ENO	3-(4-HYDROXY-PHENYL)PYRUVIC ACID	A,B,C,D	3GGO	0.74
3XH	3-Hydroxyhippuric acid	A	3E9K	0.72
4HP	4-HYDROXYPHENYLACETATE	A,B,C,D	2JBT	0.75
4HP	4-HYDROXYPHENYLACETATE	A	2YYJ	0.75
4HP	4-HYDROXYPHENYLACETATE	A	2YYM	0.75
4HP	4-HYDROXYPHENYLACETATE	B	1AI6	0.75
4HP	4-HYDROXYPHENYLACETATE	M,N,O,P,Q,R	3PCG	0.75
DGH	(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1W7Q	0.73
DGH	(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D,E,F, G,H	1W7R	0.73
R88	(4-BROMOPHENYL)[4-({(2E)-4-[CYCLOPROPYL(METHYL)AMINO]BUT- 2-ENYL}OXY)PHENYL]METHANONE	A,B,C	1H36	0.71
3HB	3-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCB	0.73
3HB	3-HYDROXYBENZOIC ACID	A	2DKH	0.73
TYP	CYCLO-(L-TYROSINE-L-PROLINE) INHIBITOR	A,B	1W1Y	0.74
EPT	HEPTANYL-P-PHENOL	A,B	1AHZ	0.7
HCC	2',4,4'-TRIHYDROXYCHALCONE	D	1FP1	0.76
MUF	(8alpha,10alpha,13alpha,17beta)- 17-[(4-hydroxyphenyl)carbonyl]androsta- 3,5-diene-3-carboxylic acid	A,B	3BEJ	0.73
G50	3-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)PROPAN- 1-ONE	A,B	2UXI	0.75
TYC	L-TYROSINAMIDE	A	2BF9	0.74
TYC	L-TYROSINAMIDE	A	2OCI	0.74
BJI	1(R)-1-ACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID	A	1ERM	0.73
DES	DIETHYLSTILBESTROL	A,B,C,D	1S9P	0.71
DES	DIETHYLSTILBESTROL	A,B	3ERD	0.71
DES	DIETHYLSTILBESTROL	A,B	1TT6	0.71
DES	DIETHYLSTILBESTROL	A,B,C,D	1TZ8	0.71
1BA	4-HYDROXY-N'-(4-ISOPROPYLBENZYL)BENZOHYDRAZIDE	A	2GPP	0.76
HC4		A	1TS6	0.71
HC4		A	3PHY	0.71
HC4		A	3PYP	0.71
HC4		A	1T1C	0.71
HC4		A	1OT6	0.71
HC4		A	1TS0	0.71
HC4		A	1T1A	0.71
HC4		A	2PYP	0.71
HC4		A	2ZOI	0.71
HC4		A	1OTI	0.71
HC4		A	1XFQ	0.71
HC4		A	2D01	0.71
HC4		A,B,C,D,E,F, G,H	2O7B	0.71
HC4		A	2ZOH	0.71
HC4		A	1GSW	0.71
HC4		A	2QJ7	0.71
HC4		A	1F9I	0.71
HC4		X	1UWP	0.71
HC4		A	2PHY	0.71
HC4		A	1T1B	0.71
HC4		A	1F98	0.71
HC4		A	1T19	0.71
HC4		X	1UWN	0.71
HC4		A,B,C,D,E,F, G,H	2O7F	0.71
HC4		A	1UGU	0.71
HC4		A	1TS8	0.71
HC4		A,B	1OTD	0.71
HC4		A	1OTE	0.71
HC4		A	1GSX	0.71
HC4		A	1TS7	0.71
HC4		A	2PYR	0.71
HC4		A	1S4S	0.71
HC4		A	1GSV	0.71
HC4		A	2I9V	0.71
HC4		A	2QWS	0.71
HC4		A	1XFN	0.71
HC4		A	1S4R	0.71
HC4		A	1T18	0.71
HC4		A	1OTA	0.71
HC4		A	1D7E	0.71
HC4		A	1S1Z	0.71
HC4		A,B,C	1MZU	0.71
HC4		A,B	1ODV	0.71
HC4		A,B	2J3J	0.71
HC4		A	2QJ5	0.71
HC4		A	1OTB	0.71
HC4		A	2D02	0.71
HC4		A	1OT9	0.71
HC4		A	1NWZ	0.71
HC4		A	1S1Y	0.71
IYR	3-IODO-TYROSINE	A	2D98	0.73
IYR	3-IODO-TYROSINE	A	2D8P	0.73
IYR	3-IODO-TYROSINE	A,B	3GFD	0.73
IYR	3-IODO-TYROSINE	A	2R1Q	0.73
IYR	3-IODO-TYROSINE	A	2ZP1	0.73
IYR	3-IODO-TYROSINE	A,B,C,D	2ZXV	0.73
IYR	3-IODO-TYROSINE	C	1CF0	0.73
IYR	3-IODO-TYROSINE	A	1XXZ	0.73
IYR	3-IODO-TYROSINE	A	2D97	0.73
IYR	3-IODO-TYROSINE	A	1XY9	0.73
IYR	3-IODO-TYROSINE	A	2Z10	0.73
IYR	3-IODO-TYROSINE	A	1WQ3	0.73
IYR	3-IODO-TYROSINE	A	2D8O	0.73
IYR	3-IODO-TYROSINE	A	2D8W	0.73
IYR	3-IODO-TYROSINE	A	2Z11	0.73
OX4	3-FLUORO-4-HYDROXYBENZALDEHYDE O- (CYCLOHEXYLCARBONYL)OXIME	A,B,C	2OOW	0.71
TTS	3-((3E)-4-HYDROXY-3-{[2-(4-HYDROXYPHENYL)ETHYL]IMINO}- 6-OXOCYCLOHEXA-1,4-DIEN-1-YL)ALANINE	A,B	2D1W	0.71
Y13	(2E)-3-(3,4-DIHYDROXYPHENYL)-N- [2-(4-HYDROXYPHENYL)ETHYL]ACRYLAMIDE	A	2EW6	0.71
MPB	4-HYDROXY-BENZOIC ACID METHYL ESTER	B,C,D	2VK0	0.76
MPB	4-HYDROXY-BENZOIC ACID METHYL ESTER	A,B,D	3MTH	0.76
789	3-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)- 1H-INDEN-1-ONE	A,B	1ZAF	0.72
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
OHP	(2-HYDROXYPHENYL)ACETIC ACID	A	2INZ	0.72
YTT	(3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine- 2,5-dione	A	3G5H	0.75
3HP	3-HYDROXYPHENYLACETATE	M,N,O,P,Q,R	3PCE	0.73
TYB	TYROSINAL	A,B	1KDZ	0.74
TYB	TYROSINAL	A	1Q11	0.74
TYB	TYROSINAL	A,B	2J5B	0.74
TYB	TYROSINAL	A,I	1GA4	0.74
TYB	TYROSINAL	A,B,C	1NLU	0.74
TYB	TYROSINAL	A,B	1KE1	0.74
TYB	TYROSINAL	A,B	1H3F	0.74
TYB	TYROSINAL	A,B	1H3E	0.74
OX3	4-HYDROXYBENZALDEHYDE O-(CYCLOHEXYLCARBONYL)OXIME	A,B,C	2OOH	0.73
JUG	5-hydroxynaphthalene-1,4-dione	A,B,C,D,E,F	3B7J	0.73
DTY	D-TYROSINE	A	1C4B	0.74
DTY	D-TYROSINE	A,L	1ZEA	0.74
DTY	D-TYROSINE	A,B,C,D,E,F, G,H	1OF6	0.74
DTY	D-TYROSINE	A,B	1UNO	0.74
DTY	D-TYROSINE	A	2IGZ	0.74
DTY	D-TYROSINE	A,B,C,H,K,L	2R5D	0.74
DTY	D-TYROSINE	A,B	2Q33	0.74
DTY	D-TYROSINE	H,S	2H9E	0.74
DTY	D-TYROSINE	A,B,C,H,K,L	2R5B	0.74
DTY	D-TYROSINE	A	2IH0	0.74
DTY	D-TYROSINE	A	1D7T	0.74
DTY	D-TYROSINE	A,B	1XA0	0.74
SGI	3-(4-hydroxyphenyl)propanamide	A,B	2R9K	0.77
4MP	1-(4-METHOXYBENZOYL)-2-PYRROLIDINONE	A,B	2AL5	0.72
HBD	4-HYDROXYBENZAMIDE	B,C,D	1BEN	0.78
MTY	META-TYROSINE	A	2TOH	0.71
MTY	META-TYROSINE	A,B	1BIQ	0.71
MTY	META-TYROSINE	A	1Q7O	0.71
AOE	N-BUTYL-11-[(7R,8R,9S,13S,14S,17S)- 3,17-DIHYDROXY-13-METHYL-7,8,9,11,12,13,14,15,16,17- DECAHYDRO-6H-CYCLOPENTA[A]PHENANTHREN- 7-YL]-N-METHYLUNDECANAMIDE	A	1HJ1	0.73
D4P	(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACID	A	1DSR	0.73
D4P	(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D,E,F, G,H	1W7R	0.73
D4P	(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1W7Q	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	0.7
SAF	3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOL	A	1GQR	0.72
SAF	3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOL	A	1GQS	0.72
NLT	N-DODECANOYL-L-TYROSINE	A,B,C,D,E,F, G,H	2G0B	0.73
AEH	4-(2-aminoethyl)-2-ethylphenol	A	3BUG	0.71
SCL	ACETIC ACID SALICYLOYL-AMINO-ESTER	A	1EBV	0.72
4BA	4-[(2-CARBOXY-ETHYLAMINO)-METHYL]- BENZOIC ACID	C	1FAV	0.71
AEG	4-[(2R)-2-aminopropyl]phenol	A	3BUF	0.72
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
DHY	2-(3,4-DIHYDROXYPHENYL)ACETIC ACID	M,N,O,P,Q,R	3PCN	0.71
DHY	2-(3,4-DIHYDROXYPHENYL)ACETIC ACID	B	1AI4	0.71
DHY	2-(3,4-DIHYDROXYPHENYL)ACETIC ACID	A,B,C,D	1Q0C	0.71
DHY	2-(3,4-DIHYDROXYPHENYL)ACETIC ACID	A,B	1F1V	0.71
2HC	(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACID	A,B	1V5Z	0.7
OBE	3-(3-HYDROXY-BENZOYLOXY)-8-METHYL- 8-AZA-BICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID	H	1RIV	0.72