MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02212790

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
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
TYP	CYCLO-(L-TYROSINE-L-PROLINE) INHIBITOR	A,B	1W1Y	0.7
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
IFA		A,B	3FC8	0.79
PY9	4-{[(2R)-2-(2-methylphenyl)pyrrolidin- 1-yl]carbonyl}benzene-1,3-diol	A,B	3EKR	0.77
Y13	(2E)-3-(3,4-DIHYDROXYPHENYL)-N- [2-(4-HYDROXYPHENYL)ETHYL]ACRYLAMIDE	A	2EW6	0.72
BJH	1(R)-1-ACETAMIDO-2-(3-CARBOXY-2- HYDROXYPHENYL)ETHYL BORONIC ACID	A	1ERQ	0.84
DZ3	N-(3,5-dibromo-4-hydroxyphenyl)- 4-hydroxy-3,5-dimethylbenzamide	A,B	3ESP	0.71
DZ1	N-(3,5-dibromo-4-hydroxyphenyl)- 2,6-dimethylbenzamide	A,B	3ESN	0.71
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
DB1	2,3-DIHYDROXYBENZAMIDE	A,B,C	1X71	0.84
GHP	4-HYDROXYPHENYLGLYCINE	A	1DSR	0.74
BJP	(1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID	A	1ERO	0.73
ZHZ	2-(4-METHOXYPHENYL)ACETAMIDE	D,H	2HKR	0.72
DIU	2-HYDROXY-3,5-DIIODO-BENZOIC ACID	A,B	3B56	0.72
DIU	2-HYDROXY-3,5-DIIODO-BENZOIC ACID	A	2BXL	0.72
HBD	4-HYDROXYBENZAMIDE	B,C,D	1BEN	0.83
TYZ	PARA ACETAMIDO BENZOIC ACID	B,C	2BNI	0.74
TYZ	PARA ACETAMIDO BENZOIC ACID	A	1W5K	0.74
TYZ	PARA ACETAMIDO BENZOIC ACID	A	1W5J	0.74
3MB	3-METHOXYBENZAMIDE	A	3PAX	0.76
AC6	P-HYDROXYACETOPHENONE	A	2GQ8	0.74
AC6	P-HYDROXYACETOPHENONE	X	2O48	0.74
SHA	SALICYLHYDROXAMIC ACID	X	1V0H	0.89
SHA	SALICYLHYDROXAMIC ACID	A	2QPK	0.89
SHA	SALICYLHYDROXAMIC ACID	A	3FNL	0.89
SHA	SALICYLHYDROXAMIC ACID	A	3GCJ	0.89
SHA	SALICYLHYDROXAMIC ACID	A	1CK6	0.89
PHB	P-HYDROXYBENZOIC ACID	A	1CJ4	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1DOB	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1PXB	0.71
PHB	P-HYDROXYBENZOIC ACID	A,B	1G1B	0.71
PHB	P-HYDROXYBENZOIC ACID	A,B	1YKJ	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1IUV	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1PBE	0.71
PHB	P-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCC	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1PDH	0.71
PHB	P-HYDROXYBENZOIC ACID	B	2BUW	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1CC4	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1CC6	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1IUW	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1FW9	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1G81	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1BGJ	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1IUX	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1CJ3	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1D7L	0.71
PHB	P-HYDROXYBENZOIC ACID	A	2PHH	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1BGN	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1PXA	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1DOC	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1K0I	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1BKW	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1JD3	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1PXC	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1TT8	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1CJ2	0.71
PHB	P-HYDROXYBENZOIC ACID	A,B	1Q4S	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1BF3	0.71
PHB	P-HYDROXYBENZOIC ACID	B	2BUR	0.71
TMS	N-PROPYL-4-[(E)-2-(3,4,5-TRIMETHOXY- PHENYL)-VINYL]-BENZAMIDE	A,B	1X6W	0.71
DGH	(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1W7Q	0.74
DGH	(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D,E,F, G,H	1W7R	0.74
SCL	ACETIC ACID SALICYLOYL-AMINO-ESTER	A	1EBV	0.88
23A	2,3-DIHYDROXYBENZALDEHYDE	A,B,C,D	2DVX	0.72
MCG	(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINE	A,B	1ISS	0.73
C39	N-[(2S,4S,5S,7R)-4-AMINO-8-(BUTYLAMINO)- 5-HYDROXY-7-METHYL-2-(1-METHYLETHYL)- 8-OXOOCTYL]-2-(3-METHOXYPROPOXY)BENZAMIDE	C,O	2V12	0.73
161	5-[4-(1-CARBOXYMETHYL-2-OXO-PROPYLCARBAMOYL)- BENZYLSULFAMOYL]-2-HYDROXY-BENZOIC ACID	A,B	1NMS	0.74
GRE	2,6-DIHYDROXYBENZOIC ACID	A,B,C,D	2DVU	0.72
SGI	3-(4-hydroxyphenyl)propanamide	A,B	2R9K	0.79
BFS	N-[1-(4-BROMOPHENYL)ETHYL]-5-FLUORO SALICYLAMIDE	A	1STD	0.83
BFS	N-[1-(4-BROMOPHENYL)ETHYL]-5-FLUORO SALICYLAMIDE	A,B,C	4STD	0.83
SAF	3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOL	A	1GQR	0.71
SAF	3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOL	A	1GQS	0.71
BJI	1(R)-1-ACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID	A	1ERM	0.76
BD2	3-[(4-HYDROXYBENZOYL)AMINO]AZEPAN- 4-YL 4-(2-HYDROXYBENZOYL)BENZOATE	A	1RE8	0.7
1BA	4-HYDROXY-N'-(4-ISOPROPYLBENZYL)BENZOHYDRAZIDE	A	2GPP	0.73
FEN	N-(4-HYDROXYPHENYL)ALL-TRANS RETINAMIDE	A	1FEL	0.71
4BA	4-[(2-CARBOXY-ETHYLAMINO)-METHYL]- BENZOIC ACID	C	1FAV	0.78
EB4	N,N',N''-[(3S,7S,11S)-2,6,10-trioxo- 1,5,9-trioxacyclododecane-3,7,11- triyl]tris(2,3-dihydroxybenzamide)	A,B,C	3CMP	0.74
4A3	4-AMINO-3-HYDROXYBENZOIC ACID	A,B	2HDR	0.7
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
136	N-(4-CARBAMIMIDOYL-3-CHORO-PHENYL)- 2-HYDROXY-3-IODO-5-METHYL-BENZAMIDE	B	1GJD	0.72
3HA	3-HYDROXYANTHRANILIC ACID	A,B	1U1W	0.72
3HA	3-HYDROXYANTHRANILIC ACID	A	1YFY	0.72
DBS	2-(2,3-DIHYDROXY-BENZOYLAMINO)- 3-HYDROXY-PROPIONIC ACID	A,B,C	1L6M	0.8
DBS	2-(2,3-DIHYDROXY-BENZOYLAMINO)- 3-HYDROXY-PROPIONIC ACID	A,B,C	3CBC	0.8
DBS	2-(2,3-DIHYDROXY-BENZOYLAMINO)- 3-HYDROXY-PROPIONIC ACID	A,B,C	3BY0	0.8
MN7	1-CARBOXY-4-ISOBUTYLAMINOMETHYLBENZENE	N	1NLO	0.78
ECA	N,N',N''-[BENZENE-1,3,5-TRIYLTRIS(METHYLENE)]TRIS(2,3- DIHYDROXYBENZAMIDE)	A,B	2CHU	0.78
TYL	N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)	B,C,D	1TYM	0.7
TYL	N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)	B,C,D	1TYL	0.7
TYL	N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)	A	2OCU	0.7
TYL	N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)	A,B,C,D,F	3DJI	0.7
TYL	N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)	A	2DPZ	0.7
C40	N-[(2R,4S,5S,7R)-4-AMINO-8-(BUTYLAMINO)- 5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL]- 2-(3-METHOXYPROPOXY)BENZAMIDE	A	2V13	0.74
OHP	(2-HYDROXYPHENYL)ACETIC ACID	A	2INZ	0.7
LJ5	N-(3,5-dibromo-4-hydroxyphenyl)benzamide	A,B	3CN4	0.73
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
NU1	8-HYDROXY-2-METHYL-3-HYDRO-QUINAZOLIN- 4-ONE	A	4PAX	0.71
B1L	3-[(4-HYDROXYBENZOYL)AMINO]AZEPAN- 4-YL 4-HYDROXYBENZOATE	A	1REJ	0.7
DBE	bis(4-hydroxyphenyl)methanone	A	2VKU	0.72
247	(3R)-3-amino-2,2-difluoro-3-(4- hydroxyphenyl)propanoic acid	A,B	2QVE	0.72
3HB	3-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCB	0.71
3HB	3-HYDROXYBENZOIC ACID	A	2DKH	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
SAL	2-HYDROXYBENZOIC ACID	A	2I2Z	0.76
SAL	2-HYDROXYBENZOIC ACID	A,B,C	1FIQ	0.76
SAL	2-HYDROXYBENZOIC ACID	A	2I30	0.76
SAL	2-HYDROXYBENZOIC ACID	A,B	1PTH	0.76
SAL	2-HYDROXYBENZOIC ACID	A,B	3DEU	0.76
SAL	2-HYDROXYBENZOIC ACID	A,B,C,D	2E1Q	0.76
SAL	2-HYDROXYBENZOIC ACID	A,B	3HGX	0.76
SAL	2-HYDROXYBENZOIC ACID	A,B	3BPX	0.76
SAL	2-HYDROXYBENZOIC ACID	A	1WYG	0.76
SAL	2-HYDROXYBENZOIC ACID	A	1JGS	0.76
SAL	2-HYDROXYBENZOIC ACID	X	1M6E	0.76
SAL	2-HYDROXYBENZOIC ACID	A	3B9M	0.76
SAL	2-HYDROXYBENZOIC ACID	A,B	1FO4	0.76
SAL	2-HYDROXYBENZOIC ACID	A,B	1Y7I	0.76
SAL	2-HYDROXYBENZOIC ACID	A,B	2FN1	0.76
YTT	(3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine- 2,5-dione	A	3G5H	0.72
DMB		A,B	1SRI	0.71
K55	(2S)-2-{4-butoxy-3-[({[2-fluoro- 4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]benzyl}butanoic acid	A,B	2ZNP	0.71
4MP	1-(4-METHOXYBENZOYL)-2-PYRROLIDINONE	A,B	2AL5	0.73
TYC	L-TYROSINAMIDE	A	2BF9	0.75
TYC	L-TYROSINAMIDE	A	2OCI	0.75
BHA	2-HYDROXY-4-AMINOBENZOIC ACID	A	1PBC	0.76
BHA	2-HYDROXY-4-AMINOBENZOIC ACID	A	1PBF	0.76
BHA	2-HYDROXY-4-AMINOBENZOIC ACID	A	1SXK	0.76
HCC	2',4,4'-TRIHYDROXYCHALCONE	D	1FP1	0.72
135	N-(4-CARBAMIMIDOYL-PHENYL)-2-HYDROXY- BENZAMIDE	B	1GJA	0.8
G50	3-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)PROPAN- 1-ONE	A,B	2UXI	0.7
F6F	2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE	A,B	2CLM	0.7
F6F	2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE	A,B	2CLF	0.7
F6F	2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE	A,B	2CLE	0.7
MHB		A,B	1SRG	0.72
D4P	(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACID	A	1DSR	0.74
D4P	(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D,E,F, G,H	1W7R	0.74
D4P	(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1W7Q	0.74
3XH	3-Hydroxyhippuric acid	A	3E9K	0.81
IYG	N-ALPHA-ACETYL-3,5-DIIODOTYROSYLGLYCINE	A	1OPM	0.71
ST2	4-(ACETYLAMINO)-5-AMINO-3-HYDROXYBENZOIC ACID	A,B	1IVC	0.7
NLT	N-DODECANOYL-L-TYROSINE	A,B,C,D,E,F, G,H	2G0B	0.74
JUG	5-hydroxynaphthalene-1,4-dione	A,B,C,D,E,F	3B7J	0.73
MTY	META-TYROSINE	A	2TOH	0.71
MTY	META-TYROSINE	A,B	1BIQ	0.71
MTY	META-TYROSINE	A	1Q7O	0.71
VRV	6-(5-BROMO-2-HYDROXYPHENYL)-2-OXO- 4-PHENYL-1,2-DIHYDROPYRIDINE-3- CARBONITRILE	A	2OBJ	0.71
DBH	2,3-DIHYDROXY-BENZOIC ACID	A,B,C	3CMP	0.7
DBH	2,3-DIHYDROXY-BENZOIC ACID	A	1MD9	0.7
DBH	2,3-DIHYDROXY-BENZOIC ACID	A	1MDB	0.7
DBH	2,3-DIHYDROXY-BENZOIC ACID	A,B,C	1L6M	0.7
DBH	2,3-DIHYDROXY-BENZOIC ACID	A,B,C	3BY0	0.7
HAB		A,B	1SRE	0.71
MOY	[(4R)-4-(3-HYDROXYPHENYL)-1,6-DIMETHYL- 2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN- 5-YL](PHENYL)METHANONE	A,B	2IEH	0.71
OBA	2-(OXALYL-AMINO)-BENZOIC ACID	A	1C85	0.71
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
HBZ	N-{[(4-hydroxyphenyl)carbonyl]carbamoyl}- beta-D-glucopyranosylamine	A	2QN7	0.71
AIN	2-(ACETYLOXY)BENZOIC ACID	A	3GCL	0.7
AIN	2-(ACETYLOXY)BENZOIC ACID	A	2QQT	0.7
AIN	2-(ACETYLOXY)BENZOIC ACID	A	1TGM	0.7
AIN	2-(ACETYLOXY)BENZOIC ACID	A	2G5J	0.7
AIN	2-(ACETYLOXY)BENZOIC ACID	A	1OXR	0.7
AIN	2-(ACETYLOXY)BENZOIC ACID	A	3HWY	0.7
IFB	N-[(2',4'-DIFLUORO-4-HYDROXY-5- IODOBIPHENYL-3-YL)CARBONYL]-BETA- ALANINE	A,B	3FCB	0.79
AEH	4-(2-aminoethyl)-2-ethylphenol	A	3BUG	0.71
401	(2S)-2-{3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]- 4-methoxybenzyl}butanoic acid	A,B	2ZNQ	0.73
DOB	2,4-DIHYDROXYBENZOIC ACID	A	1DOD	0.71
DOB	2,4-DIHYDROXYBENZOIC ACID	A	1DOE	0.71
DOB	2,4-DIHYDROXYBENZOIC ACID	A	1PBB	0.71
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