MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00125335

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
HBD	4-HYDROXYBENZAMIDE	B,C,D	1BEN	0.9
B3Y	(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACID	A	3HF0	0.73
B3Y	(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACID	A	2OXK	0.73
B3Y	(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACID	A,B,C	2OXJ	0.73
SCL	ACETIC ACID SALICYLOYL-AMINO-ESTER	A	1EBV	0.8
3XH	3-Hydroxyhippuric acid	A	3E9K	0.74
FHB	3-FLUORO-4-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCF	0.72
MCG	(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINE	A,B	1ISS	0.72
D4P	(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACID	A	1DSR	0.76
D4P	(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D,E,F, G,H	1W7R	0.76
D4P	(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1W7Q	0.76
3MB	3-METHOXYBENZAMIDE	A	3PAX	0.76
SGI	3-(4-hydroxyphenyl)propanamide	A,B	2R9K	0.8
HBA	P-HYDROXYBENZALDEHYDE	A	1K03	0.75
HBA	P-HYDROXYBENZALDEHYDE	A,B	2VQ5	0.75
HBA	P-HYDROXYBENZALDEHYDE	A,B	1EB9	0.75
HBA	P-HYDROXYBENZALDEHYDE	A	2GQ9	0.75
HBA	P-HYDROXYBENZALDEHYDE	A,B	1Z42	0.75
HBA	P-HYDROXYBENZALDEHYDE	A	1OYB	0.75
ZHZ	2-(4-METHOXYPHENYL)ACETAMIDE	D,H	2HKR	0.73
BHA	2-HYDROXY-4-AMINOBENZOIC ACID	A	1PBC	0.7
BHA	2-HYDROXY-4-AMINOBENZOIC ACID	A	1PBF	0.7
BHA	2-HYDROXY-4-AMINOBENZOIC ACID	A	1SXK	0.7
IHB	3-IODO-4-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCI	0.72
4BE	4-bromo-N'-[(1E)-(3,5-dibromo-2,4- dihydroxyphenyl)methylidene]benzohydrazide	A,B,C,D,E,F	3DP2	0.71
2RB	N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]- 4-methoxybenzohydrazide	A,B,C,D,E,F	3DP1	0.7
AEF	4-(2-aminoethyl)phenol	A	3BRA	0.71
DB1	2,3-DIHYDROXYBENZAMIDE	A,B,C	1X71	0.77
ANN	4-METHOXYBENZOIC ACID	A	2B96	0.7
ANN	4-METHOXYBENZOIC ACID	A	2QUE	0.7
ANN	4-METHOXYBENZOIC ACID	A	1SV3	0.7
ANN	4-METHOXYBENZOIC ACID	A	1O2E	0.7
ANN	4-METHOXYBENZOIC ACID	A,B,C,D	3CBI	0.7
BEK	2,3,5,6-TETRAFLUORO-4-METHOXY-BENZAMIDE	A	1KJR	0.71
4MP	1-(4-METHOXYBENZOYL)-2-PYRROLIDINONE	A,B	2AL5	0.71
1BA	4-HYDROXY-N'-(4-ISOPROPYLBENZYL)BENZOHYDRAZIDE	A	2GPP	0.89
3BE	3-bromo-N'-[(1E)-(3,5-dibromo-2,4- dihydroxyphenyl)methylidene]benzohydrazide	A,B,C,D,E,F	3DOZ	0.71
IYR	3-IODO-TYROSINE	A	2D98	0.71
IYR	3-IODO-TYROSINE	A	2D8P	0.71
IYR	3-IODO-TYROSINE	A,B	3GFD	0.71
IYR	3-IODO-TYROSINE	A	2R1Q	0.71
IYR	3-IODO-TYROSINE	A	2ZP1	0.71
IYR	3-IODO-TYROSINE	A,B,C,D	2ZXV	0.71
IYR	3-IODO-TYROSINE	C	1CF0	0.71
IYR	3-IODO-TYROSINE	A	1XXZ	0.71
IYR	3-IODO-TYROSINE	A	2D97	0.71
IYR	3-IODO-TYROSINE	A	1XY9	0.71
IYR	3-IODO-TYROSINE	A	2Z10	0.71
IYR	3-IODO-TYROSINE	A	1WQ3	0.71
IYR	3-IODO-TYROSINE	A	2D8O	0.71
IYR	3-IODO-TYROSINE	A	2D8W	0.71
IYR	3-IODO-TYROSINE	A	2Z11	0.71
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
MN7	1-CARBOXY-4-ISOBUTYLAMINOMETHYLBENZENE	N	1NLO	0.7
D3P	(2R)-AMINO(3,5-DIHYDROXYPHENYL)ACETIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1W7Q	0.7
D3P	(2R)-AMINO(3,5-DIHYDROXYPHENYL)ACETIC ACID	A,B,C,D,E,F, G,H	1W7R	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
3HB	3-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCB	0.71
3HB	3-HYDROXYBENZOIC ACID	A	2DKH	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1CJ4	0.74
PHB	P-HYDROXYBENZOIC ACID	A	1DOB	0.74
PHB	P-HYDROXYBENZOIC ACID	A	1PXB	0.74
PHB	P-HYDROXYBENZOIC ACID	A,B	1G1B	0.74
PHB	P-HYDROXYBENZOIC ACID	A,B	1YKJ	0.74
PHB	P-HYDROXYBENZOIC ACID	A	1IUV	0.74
PHB	P-HYDROXYBENZOIC ACID	A	1PBE	0.74
PHB	P-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCC	0.74
PHB	P-HYDROXYBENZOIC ACID	A	1PDH	0.74
PHB	P-HYDROXYBENZOIC ACID	B	2BUW	0.74
PHB	P-HYDROXYBENZOIC ACID	A	1CC4	0.74
PHB	P-HYDROXYBENZOIC ACID	A	1CC6	0.74
PHB	P-HYDROXYBENZOIC ACID	A	1IUW	0.74
PHB	P-HYDROXYBENZOIC ACID	A	1FW9	0.74
PHB	P-HYDROXYBENZOIC ACID	A	1G81	0.74
PHB	P-HYDROXYBENZOIC ACID	A	1BGJ	0.74
PHB	P-HYDROXYBENZOIC ACID	A	1IUX	0.74
PHB	P-HYDROXYBENZOIC ACID	A	1CJ3	0.74
PHB	P-HYDROXYBENZOIC ACID	A	1D7L	0.74
PHB	P-HYDROXYBENZOIC ACID	A	2PHH	0.74
PHB	P-HYDROXYBENZOIC ACID	A	1BGN	0.74
PHB	P-HYDROXYBENZOIC ACID	A	1PXA	0.74
PHB	P-HYDROXYBENZOIC ACID	A	1DOC	0.74
PHB	P-HYDROXYBENZOIC ACID	A	1K0I	0.74
PHB	P-HYDROXYBENZOIC ACID	A	1BKW	0.74
PHB	P-HYDROXYBENZOIC ACID	A	1JD3	0.74
PHB	P-HYDROXYBENZOIC ACID	A	1PXC	0.74
PHB	P-HYDROXYBENZOIC ACID	A	1TT8	0.74
PHB	P-HYDROXYBENZOIC ACID	A	1CJ2	0.74
PHB	P-HYDROXYBENZOIC ACID	A,B	1Q4S	0.74
PHB	P-HYDROXYBENZOIC ACID	A	1BF3	0.74
PHB	P-HYDROXYBENZOIC ACID	B	2BUR	0.74
SHA	SALICYLHYDROXAMIC ACID	X	1V0H	0.8
SHA	SALICYLHYDROXAMIC ACID	A	2QPK	0.8
SHA	SALICYLHYDROXAMIC ACID	A	3FNL	0.8
SHA	SALICYLHYDROXAMIC ACID	A	3GCJ	0.8
SHA	SALICYLHYDROXAMIC ACID	A	1CK6	0.8
DGH	(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1W7Q	0.76
DGH	(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D,E,F, G,H	1W7R	0.76
142	CARBIDOPA	A,B	1JS3	0.76
201	3-AMIDO-5-BIPHENYL-BENZOIC ACID	A	2B0M	0.71
247	(3R)-3-amino-2,2-difluoro-3-(4- hydroxyphenyl)propanoic acid	A,B	2QVE	0.73
TYC	L-TYROSINAMIDE	A	2BF9	0.77
TYC	L-TYROSINAMIDE	A	2OCI	0.77
AEG	4-[(2R)-2-aminopropyl]phenol	A	3BUF	0.7
4HL	4-(HYDRAZINOMETHYL)PHENOL	A,B	2E2U	0.79
MTY	META-TYROSINE	A	2TOH	0.71
MTY	META-TYROSINE	A,B	1BIQ	0.71
MTY	META-TYROSINE	A	1Q7O	0.71
GHP	4-HYDROXYPHENYLGLYCINE	A	1DSR	0.76
HAB		A,B	1SRE	0.71
AC6	P-HYDROXYACETOPHENONE	A	2GQ8	0.79
AC6	P-HYDROXYACETOPHENONE	X	2O48	0.79
TYB	TYROSINAL	A,B	1KDZ	0.73
TYB	TYROSINAL	A	1Q11	0.73
TYB	TYROSINAL	A,B	2J5B	0.73
TYB	TYROSINAL	A,I	1GA4	0.73
TYB	TYROSINAL	A,B,C	1NLU	0.73
TYB	TYROSINAL	A,B	1KE1	0.73
TYB	TYROSINAL	A,B	1H3F	0.73
TYB	TYROSINAL	A,B	1H3E	0.73
YOF	3-FLUOROTYROSINE	A,B	1XIL	0.71
YOF	3-FLUOROTYROSINE	A,B	1XDC	0.71
YOF	3-FLUOROTYROSINE	A	1RRX	0.71
YOF	3-FLUOROTYROSINE	A,B	3FYG	0.71
BJH	1(R)-1-ACETAMIDO-2-(3-CARBOXY-2- HYDROXYPHENYL)ETHYL BORONIC ACID	A	1ERQ	0.71
DBE	bis(4-hydroxyphenyl)methanone	A	2VKU	0.75
MHB		A,B	1SRG	0.7
DTY	D-TYROSINE	A	1C4B	0.73
DTY	D-TYROSINE	A,L	1ZEA	0.73
DTY	D-TYROSINE	A,B,C,D,E,F, G,H	1OF6	0.73
DTY	D-TYROSINE	A,B	1UNO	0.73
DTY	D-TYROSINE	A	2IGZ	0.73
DTY	D-TYROSINE	A,B,C,H,K,L	2R5D	0.73
DTY	D-TYROSINE	A,B	2Q33	0.73
DTY	D-TYROSINE	H,S	2H9E	0.73
DTY	D-TYROSINE	A,B,C,H,K,L	2R5B	0.73
DTY	D-TYROSINE	A	2IH0	0.73
DTY	D-TYROSINE	A	1D7T	0.73
DTY	D-TYROSINE	A,B	1XA0	0.73
4A3	4-AMINO-3-HYDROXYBENZOIC ACID	A,B	2HDR	0.71