MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00125953

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
DMB		A,B	1SRI	0.72
HBA	P-HYDROXYBENZALDEHYDE	A	1K03	0.7
HBA	P-HYDROXYBENZALDEHYDE	A,B	2VQ5	0.7
HBA	P-HYDROXYBENZALDEHYDE	A,B	1EB9	0.7
HBA	P-HYDROXYBENZALDEHYDE	A	2GQ9	0.7
HBA	P-HYDROXYBENZALDEHYDE	A,B	1Z42	0.7
HBA	P-HYDROXYBENZALDEHYDE	A	1OYB	0.7
GHP	4-HYDROXYPHENYLGLYCINE	A	1DSR	0.73
BIK	3,7-DIHYDROXY-2-NAPHTHOIC ACID	A	1U5A	0.71
BIK	3,7-DIHYDROXY-2-NAPHTHOIC ACID	A	1U5C	0.71
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	0.7
DB1	2,3-DIHYDROXYBENZAMIDE	A,B,C	1X71	0.84
HAB		A,B	1SRE	0.74
DTY	D-TYROSINE	A	1C4B	0.71
DTY	D-TYROSINE	A,L	1ZEA	0.71
DTY	D-TYROSINE	A,B,C,D,E,F, G,H	1OF6	0.71
DTY	D-TYROSINE	A,B	1UNO	0.71
DTY	D-TYROSINE	A	2IGZ	0.71
DTY	D-TYROSINE	A,B,C,H,K,L	2R5D	0.71
DTY	D-TYROSINE	A,B	2Q33	0.71
DTY	D-TYROSINE	H,S	2H9E	0.71
DTY	D-TYROSINE	A,B,C,H,K,L	2R5B	0.71
DTY	D-TYROSINE	A	2IH0	0.71
DTY	D-TYROSINE	A	1D7T	0.71
DTY	D-TYROSINE	A,B	1XA0	0.71
PY9	4-{[(2R)-2-(2-methylphenyl)pyrrolidin- 1-yl]carbonyl}benzene-1,3-diol	A,B	3EKR	0.78
VRV	6-(5-BROMO-2-HYDROXYPHENYL)-2-OXO- 4-PHENYL-1,2-DIHYDROPYRIDINE-3- CARBONITRILE	A	2OBJ	0.74
HBD	4-HYDROXYBENZAMIDE	B,C,D	1BEN	0.82
BJP	(1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID	A	1ERO	0.75
TYB	TYROSINAL	A,B	1KDZ	0.71
TYB	TYROSINAL	A	1Q11	0.71
TYB	TYROSINAL	A,B	2J5B	0.71
TYB	TYROSINAL	A,I	1GA4	0.71
TYB	TYROSINAL	A,B,C	1NLU	0.71
TYB	TYROSINAL	A,B	1KE1	0.71
TYB	TYROSINAL	A,B	1H3F	0.71
TYB	TYROSINAL	A,B	1H3E	0.71
NLT	N-DODECANOYL-L-TYROSINE	A,B,C,D,E,F, G,H	2G0B	0.71
219	CYCLOHEXYLMETHYL 2-FORMYLPHENYL HYDROGEN PHOSPHATE	A	1O4I	0.71
BHA	2-HYDROXY-4-AMINOBENZOIC ACID	A	1PBC	0.74
BHA	2-HYDROXY-4-AMINOBENZOIC ACID	A	1PBF	0.74
BHA	2-HYDROXY-4-AMINOBENZOIC ACID	A	1SXK	0.74
TMS	N-PROPYL-4-[(E)-2-(3,4,5-TRIMETHOXY- PHENYL)-VINYL]-BENZAMIDE	A,B	1X6W	0.71
161	5-[4-(1-CARBOXYMETHYL-2-OXO-PROPYLCARBAMOYL)- BENZYLSULFAMOYL]-2-HYDROXY-BENZOIC ACID	A,B	1NMS	0.74
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	0.75
GRE	2,6-DIHYDROXYBENZOIC ACID	A,B,C,D	2DVU	0.72
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
BD2	3-[(4-HYDROXYBENZOYL)AMINO]AZEPAN- 4-YL 4-(2-HYDROXYBENZOYL)BENZOATE	A	1RE8	0.72
Y13	(2E)-3-(3,4-DIHYDROXYPHENYL)-N- [2-(4-HYDROXYPHENYL)ETHYL]ACRYLAMIDE	A	2EW6	0.74
1FL	5-(2,4-DIFLUOROPHENYL)-2-HYDROXY- BENZOIC ACID	A,B	2BXE	0.73
1FL	5-(2,4-DIFLUOROPHENYL)-2-HYDROXY- BENZOIC ACID	A,B	3D2T	0.73
SAL	2-HYDROXYBENZOIC ACID	A	2I2Z	0.75
SAL	2-HYDROXYBENZOIC ACID	A,B,C	1FIQ	0.75
SAL	2-HYDROXYBENZOIC ACID	A	2I30	0.75
SAL	2-HYDROXYBENZOIC ACID	A,B	1PTH	0.75
SAL	2-HYDROXYBENZOIC ACID	A,B	3DEU	0.75
SAL	2-HYDROXYBENZOIC ACID	A,B,C,D	2E1Q	0.75
SAL	2-HYDROXYBENZOIC ACID	A,B	3HGX	0.75
SAL	2-HYDROXYBENZOIC ACID	A,B	3BPX	0.75
SAL	2-HYDROXYBENZOIC ACID	A	1WYG	0.75
SAL	2-HYDROXYBENZOIC ACID	A	1JGS	0.75
SAL	2-HYDROXYBENZOIC ACID	X	1M6E	0.75
SAL	2-HYDROXYBENZOIC ACID	A	3B9M	0.75
SAL	2-HYDROXYBENZOIC ACID	A,B	1FO4	0.75
SAL	2-HYDROXYBENZOIC ACID	A,B	1Y7I	0.75
SAL	2-HYDROXYBENZOIC ACID	A,B	2FN1	0.75
PSN	BENZYL 2-FORMYLPHENYL HYDROGEN PHOSPHATE	A	1O4K	0.73
MOY	[(4R)-4-(3-HYDROXYPHENYL)-1,6-DIMETHYL- 2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN- 5-YL](PHENYL)METHANONE	A,B	2IEH	0.72
HBZ	N-{[(4-hydroxyphenyl)carbonyl]carbamoyl}- beta-D-glucopyranosylamine	A	2QN7	0.7
K55	(2S)-2-{4-butoxy-3-[({[2-fluoro- 4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]benzyl}butanoic acid	A,B	2ZNP	0.73
1BA	4-HYDROXY-N'-(4-ISOPROPYLBENZYL)BENZOHYDRAZIDE	A	2GPP	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
201	3-AMIDO-5-BIPHENYL-BENZOIC ACID	A	2B0M	0.72
ARY	ARYLOMYCIN A2	A,B	1T7D	0.7
IFA		A,B	3FC8	0.8
136	N-(4-CARBAMIMIDOYL-3-CHORO-PHENYL)- 2-HYDROXY-3-IODO-5-METHYL-BENZAMIDE	B	1GJD	0.72
C40	N-[(2R,4S,5S,7R)-4-AMINO-8-(BUTYLAMINO)- 5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL]- 2-(3-METHOXYPROPOXY)BENZAMIDE	A	2V13	0.71
AC6	P-HYDROXYACETOPHENONE	A	2GQ8	0.72
AC6	P-HYDROXYACETOPHENONE	X	2O48	0.72
3XH	3-Hydroxyhippuric acid	A	3E9K	0.8
MHB		A,B	1SRG	0.74
BJI	1(R)-1-ACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID	A	1ERM	0.73
LJ5	N-(3,5-dibromo-4-hydroxyphenyl)benzamide	A,B	3CN4	0.75
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
MTB		A,B	1SRF	0.71
D27	2-{[(2E)-3-(3,4-dimethoxyphenyl)prop- 2-enoyl]amino}benzoic acid	A,B,C,D	2VD0	0.7
LI7	(3E)-3-[(4-HYDROXYPHENYL)IMINO]- 1H-INDOL-2(3H)-ONE	A	1YXX	0.71
DZ3	N-(3,5-dibromo-4-hydroxyphenyl)- 4-hydroxy-3,5-dimethylbenzamide	A,B	3ESP	0.72
OFL	O-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACID	A	1DVZ	0.71
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
TYC	L-TYROSINAMIDE	A	2BF9	0.73
TYC	L-TYROSINAMIDE	A	2OCI	0.73
DZ1	N-(3,5-dibromo-4-hydroxyphenyl)- 2,6-dimethylbenzamide	A,B	3ESN	0.72
B1L	3-[(4-HYDROXYBENZOYL)AMINO]AZEPAN- 4-YL 4-HYDROXYBENZOATE	A	1REJ	0.72
DBS	2-(2,3-DIHYDROXY-BENZOYLAMINO)- 3-HYDROXY-PROPIONIC ACID	A,B,C	1L6M	0.78
DBS	2-(2,3-DIHYDROXY-BENZOYLAMINO)- 3-HYDROXY-PROPIONIC ACID	A,B,C	3CBC	0.78
DBS	2-(2,3-DIHYDROXY-BENZOYLAMINO)- 3-HYDROXY-PROPIONIC ACID	A,B,C	3BY0	0.78
FHI		A,B	1Y1D	0.7
HCC	2',4,4'-TRIHYDROXYCHALCONE	D	1FP1	0.75
C00	2-(4-hydroxybiphenyl-3-yl)-4-methyl- 1H-isoindole-1,3(2H)-dione	A	3BYX	0.7
C00	2-(4-hydroxybiphenyl-3-yl)-4-methyl- 1H-isoindole-1,3(2H)-dione	A	3BZ0	0.7
687	N-ACETYL-N-[1-(1,1'-BIPHENYL-4- YLMETHYL)-2-OXOAZEPAN-3-YL]-3-FORMYL- O-PHOSPHONOTYROSINAMIDE	A	1O45	0.7
BJH	1(R)-1-ACETAMIDO-2-(3-CARBOXY-2- HYDROXYPHENYL)ETHYL BORONIC ACID	A	1ERQ	0.8
G50	3-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)PROPAN- 1-ONE	A,B	2UXI	0.74
PHB	P-HYDROXYBENZOIC ACID	A	1CJ4	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1DOB	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1PXB	0.7
PHB	P-HYDROXYBENZOIC ACID	A,B	1G1B	0.7
PHB	P-HYDROXYBENZOIC ACID	A,B	1YKJ	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1IUV	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1PBE	0.7
PHB	P-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCC	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1PDH	0.7
PHB	P-HYDROXYBENZOIC ACID	B	2BUW	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1CC4	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1CC6	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1IUW	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1FW9	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1G81	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1BGJ	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1IUX	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1CJ3	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1D7L	0.7
PHB	P-HYDROXYBENZOIC ACID	A	2PHH	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1BGN	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1PXA	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1DOC	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1K0I	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1BKW	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1JD3	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1PXC	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1TT8	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1CJ2	0.7
PHB	P-HYDROXYBENZOIC ACID	A,B	1Q4S	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1BF3	0.7
PHB	P-HYDROXYBENZOIC ACID	B	2BUR	0.7
3HA	3-HYDROXYANTHRANILIC ACID	A,B	1U1W	0.71
3HA	3-HYDROXYANTHRANILIC ACID	A	1YFY	0.71
3MB	3-METHOXYBENZAMIDE	A	3PAX	0.74
TYZ	PARA ACETAMIDO BENZOIC ACID	B,C	2BNI	0.71
TYZ	PARA ACETAMIDO BENZOIC ACID	A	1W5K	0.71
TYZ	PARA ACETAMIDO BENZOIC ACID	A	1W5J	0.71
B3Y	(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACID	A	3HF0	0.71
B3Y	(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACID	A	2OXK	0.71
B3Y	(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACID	A,B,C	2OXJ	0.71
IFB	N-[(2',4'-DIFLUORO-4-HYDROXY-5- IODOBIPHENYL-3-YL)CARBONYL]-BETA- ALANINE	A,B	3FCB	0.81
JUG	5-hydroxynaphthalene-1,4-dione	A,B,C,D,E,F	3B7J	0.73
SGI	3-(4-hydroxyphenyl)propanamide	A,B	2R9K	0.77
4MP	1-(4-METHOXYBENZOYL)-2-PYRROLIDINONE	A,B	2AL5	0.72
DK2	2-[(1R)-1-CARBOXY-2-(4-HYDROXYPHENYL)ETHYL]- 1,3-DIOXOISOINDOLINE-5-CARBOXYLIC ACID	A,B	2PU2	0.71
SCL	ACETIC ACID SALICYLOYL-AMINO-ESTER	A	1EBV	0.86
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
ECA	N,N',N''-[BENZENE-1,3,5-TRIYLTRIS(METHYLENE)]TRIS(2,3- DIHYDROXYBENZAMIDE)	A,B	2CHU	0.81
DBE	bis(4-hydroxyphenyl)methanone	A	2VKU	0.75
FLF	2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID	A,B	1BM7	0.7
FLF	2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID	A	1S2C	0.7
FLF	2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID	A	2PIX	0.7
401	(2S)-2-{3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]- 4-methoxybenzyl}butanoic acid	A,B	2ZNQ	0.75
135	N-(4-CARBAMIMIDOYL-PHENYL)-2-HYDROXY- BENZAMIDE	B	1GJA	0.82
NBF	[(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACID	A	1NY0	0.74
NBF	[(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACID	A,B	1YMS	0.74
4BA	4-[(2-CARBOXY-ETHYLAMINO)-METHYL]- BENZOIC ACID	C	1FAV	0.76
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
YTT	(3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine- 2,5-dione	A	3G5H	0.74
5PH	5-[5-(1-CARBOXYMETHYL-2-OXO-PROPYLCARBAMOYL)- 5-PHENYL-PENTYLSULFAMOYL]-2-HYDROXY- BENZOIC ACID	A	1RWV	0.71
SHA	SALICYLHYDROXAMIC ACID	X	1V0H	0.88
SHA	SALICYLHYDROXAMIC ACID	A	2QPK	0.88
SHA	SALICYLHYDROXAMIC ACID	A	3FNL	0.88
SHA	SALICYLHYDROXAMIC ACID	A	3GCJ	0.88
SHA	SALICYLHYDROXAMIC ACID	A	1CK6	0.88
23A	2,3-DIHYDROXYBENZALDEHYDE	A,B,C,D	2DVX	0.71