MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03397911

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
DGH	(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1W7Q	0.77
DGH	(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D,E,F, G,H	1W7R	0.77
MN7	1-CARBOXY-4-ISOBUTYLAMINOMETHYLBENZENE	N	1NLO	0.74
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
1BA	4-HYDROXY-N'-(4-ISOPROPYLBENZYL)BENZOHYDRAZIDE	A	2GPP	0.77
AEH	4-(2-aminoethyl)-2-ethylphenol	A	3BUG	0.75
4BA	4-[(2-CARBOXY-ETHYLAMINO)-METHYL]- BENZOIC ACID	C	1FAV	0.73
DBS	2-(2,3-DIHYDROXY-BENZOYLAMINO)- 3-HYDROXY-PROPIONIC ACID	A,B,C	1L6M	0.71
DBS	2-(2,3-DIHYDROXY-BENZOYLAMINO)- 3-HYDROXY-PROPIONIC ACID	A,B,C	3CBC	0.71
DBS	2-(2,3-DIHYDROXY-BENZOYLAMINO)- 3-HYDROXY-PROPIONIC ACID	A,B,C	3BY0	0.71
MTB		A,B	1SRF	0.72
ECA	N,N',N''-[BENZENE-1,3,5-TRIYLTRIS(METHYLENE)]TRIS(2,3- DIHYDROXYBENZAMIDE)	A,B	2CHU	0.73
AC6	P-HYDROXYACETOPHENONE	A	2GQ8	0.74
AC6	P-HYDROXYACETOPHENONE	X	2O48	0.74
3MB	3-METHOXYBENZAMIDE	A	3PAX	0.71
D3P	(2R)-AMINO(3,5-DIHYDROXYPHENYL)ACETIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1W7Q	0.72
D3P	(2R)-AMINO(3,5-DIHYDROXYPHENYL)ACETIC ACID	A,B,C,D,E,F, G,H	1W7R	0.72
SCL	ACETIC ACID SALICYLOYL-AMINO-ESTER	A	1EBV	0.81
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A,B	2RH4	0.71
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A,B	3CSD	0.71
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A,B	2RHR	0.71
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A	1F0Q	0.71
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A	3C13	0.71
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A,B	2RHC	0.71
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A	3BQC	0.71
AEG	4-[(2R)-2-aminopropyl]phenol	A	3BUF	0.71
DAH	3,4-DIHYDROXYPHENYLALANINE	A,B	1RNR	0.7
DAH	3,4-DIHYDROXYPHENYLALANINE	A	6PAH	0.7
DAH	3,4-DIHYDROXYPHENYLALANINE	A,B	1IVV	0.7
BJI	1(R)-1-ACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID	A	1ERM	0.71
YOF	3-FLUOROTYROSINE	A,B	1XIL	0.72
YOF	3-FLUOROTYROSINE	A,B	1XDC	0.72
YOF	3-FLUOROTYROSINE	A	1RRX	0.72
YOF	3-FLUOROTYROSINE	A,B	3FYG	0.72
TYI	3,5-DIIODOTYROSINE	A	2D8W	0.73
TYI	3,5-DIIODOTYROSINE	E,I	1CTP	0.73
TYI	3,5-DIIODOTYROSINE	A	2D97	0.73
TYI	3,5-DIIODOTYROSINE	A	2AXE	0.73
TYI	3,5-DIIODOTYROSINE	A	2D8O	0.73
TYI	3,5-DIIODOTYROSINE	A,B	2VLW	0.73
TYI	3,5-DIIODOTYROSINE	A,B	2C3V	0.73
TYI	3,5-DIIODOTYROSINE	A	2D98	0.73
TYI	3,5-DIIODOTYROSINE	A	2NOO	0.73
TYI	3,5-DIIODOTYROSINE	A	2D8P	0.73
TYI	3,5-DIIODOTYROSINE	A,B,C,D,E,F, G,H	3GH8	0.73
TYI	3,5-DIIODOTYROSINE	A,B,C,D	1L0S	0.73
AEF	4-(2-aminoethyl)phenol	A	3BRA	0.71
MOY	[(4R)-4-(3-HYDROXYPHENYL)-1,6-DIMETHYL- 2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN- 5-YL](PHENYL)METHANONE	A,B	2IEH	0.72
GHP	4-HYDROXYPHENYLGLYCINE	A	1DSR	0.77
3XH	3-Hydroxyhippuric acid	A	3E9K	0.72
BJH	1(R)-1-ACETAMIDO-2-(3-CARBOXY-2- HYDROXYPHENYL)ETHYL BORONIC ACID	A	1ERQ	0.78
MCG	(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINE	A,B	1ISS	0.74
MTY	META-TYROSINE	A	2TOH	0.72
MTY	META-TYROSINE	A,B	1BIQ	0.72
MTY	META-TYROSINE	A	1Q7O	0.72
201	3-AMIDO-5-BIPHENYL-BENZOIC ACID	A	2B0M	0.72
IFB	N-[(2',4'-DIFLUORO-4-HYDROXY-5- IODOBIPHENYL-3-YL)CARBONYL]-BETA- ALANINE	A,B	3FCB	0.77
1FL	5-(2,4-DIFLUOROPHENYL)-2-HYDROXY- BENZOIC ACID	A,B	2BXE	0.74
1FL	5-(2,4-DIFLUOROPHENYL)-2-HYDROXY- BENZOIC ACID	A,B	3D2T	0.74
299	2,6-DIFORMYL-4-METHYLPHENYL DIHYDROGEN PHOSPHATE	A	1O4E	0.71
PY9	4-{[(2R)-2-(2-methylphenyl)pyrrolidin- 1-yl]carbonyl}benzene-1,3-diol	A,B	3EKR	0.73
BHA	2-HYDROXY-4-AMINOBENZOIC ACID	A	1PBC	0.72
BHA	2-HYDROXY-4-AMINOBENZOIC ACID	A	1PBF	0.72
BHA	2-HYDROXY-4-AMINOBENZOIC ACID	A	1SXK	0.72
FHI		A,B	1Y1D	0.72
D4P	(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACID	A	1DSR	0.77
D4P	(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D,E,F, G,H	1W7R	0.77
D4P	(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1W7Q	0.77
TYC	L-TYROSINAMIDE	A	2BF9	0.74
TYC	L-TYROSINAMIDE	A	2OCI	0.74
IFA		A,B	3FC8	0.77
SGI	3-(4-hydroxyphenyl)propanamide	A,B	2R9K	0.74
DIU	2-HYDROXY-3,5-DIIODO-BENZOIC ACID	A,B	3B56	0.71
DIU	2-HYDROXY-3,5-DIIODO-BENZOIC ACID	A	2BXL	0.71
NBF	[(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACID	A	1NY0	0.72
NBF	[(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACID	A,B	1YMS	0.72
BIK	3,7-DIHYDROXY-2-NAPHTHOIC ACID	A	1U5A	0.72
BIK	3,7-DIHYDROXY-2-NAPHTHOIC ACID	A	1U5C	0.72
DMB		A,B	1SRI	0.71
TY3	3-HYDROXY-L-TYROSINE	A,B	2VH3	0.7
IYR	3-IODO-TYROSINE	A	2D98	0.72
IYR	3-IODO-TYROSINE	A	2D8P	0.72
IYR	3-IODO-TYROSINE	A,B	3GFD	0.72
IYR	3-IODO-TYROSINE	A	2R1Q	0.72
IYR	3-IODO-TYROSINE	A	2ZP1	0.72
IYR	3-IODO-TYROSINE	A,B,C,D	2ZXV	0.72
IYR	3-IODO-TYROSINE	C	1CF0	0.72
IYR	3-IODO-TYROSINE	A	1XXZ	0.72
IYR	3-IODO-TYROSINE	A	2D97	0.72
IYR	3-IODO-TYROSINE	A	1XY9	0.72
IYR	3-IODO-TYROSINE	A	2Z10	0.72
IYR	3-IODO-TYROSINE	A	1WQ3	0.72
IYR	3-IODO-TYROSINE	A	2D8O	0.72
IYR	3-IODO-TYROSINE	A	2D8W	0.72
IYR	3-IODO-TYROSINE	A	2Z11	0.72
HCC	2',4,4'-TRIHYDROXYCHALCONE	D	1FP1	0.72
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
247	(3R)-3-amino-2,2-difluoro-3-(4- hydroxyphenyl)propanoic acid	A,B	2QVE	0.75
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
B3Y	(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACID	A	3HF0	0.76
B3Y	(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACID	A	2OXK	0.76
B3Y	(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACID	A,B,C	2OXJ	0.76
AED	4-(2-aminoethyl)-2-cyclohexylphenol	A	3BUH	0.74
HBD	4-HYDROXYBENZAMIDE	B,C,D	1BEN	0.77
DBE	bis(4-hydroxyphenyl)methanone	A	2VKU	0.73
SHA	SALICYLHYDROXAMIC ACID	X	1V0H	0.81
SHA	SALICYLHYDROXAMIC ACID	A	2QPK	0.81
SHA	SALICYLHYDROXAMIC ACID	A	3FNL	0.81
SHA	SALICYLHYDROXAMIC ACID	A	3GCJ	0.81
SHA	SALICYLHYDROXAMIC ACID	A	1CK6	0.81
BFS	N-[1-(4-BROMOPHENYL)ETHYL]-5-FLUORO SALICYLAMIDE	A	1STD	0.73
BFS	N-[1-(4-BROMOPHENYL)ETHYL]-5-FLUORO SALICYLAMIDE	A,B,C	4STD	0.73
JUG	5-hydroxynaphthalene-1,4-dione	A,B,C,D,E,F	3B7J	0.74
DB1	2,3-DIHYDROXYBENZAMIDE	A,B,C	1X71	0.79
G50	3-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)PROPAN- 1-ONE	A,B	2UXI	0.72