MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03541602

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
421	6-CARBAMIMIDOYL-4-(3-HYDROXY-2- METHYL-BENZOYLAMINO)-NAPHTHALENE- 2-CARBOXYLIC ACID METHYL ESTER	A	1ZSK	0.72
201	3-AMIDO-5-BIPHENYL-BENZOIC ACID	A	2B0M	0.75
DGH	(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1W7Q	0.72
DGH	(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D,E,F, G,H	1W7R	0.72
MRE	2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACID	A,B	2V9C	0.74
GBS	4-GUANIDINOBENZOIC ACID	X	2AH4	0.71
GBS	4-GUANIDINOBENZOIC ACID	A	1GBT	0.71
GBS	4-GUANIDINOBENZOIC ACID	A	1RTK	0.71
GBS	4-GUANIDINOBENZOIC ACID	A	3DFL	0.71
3HA	3-HYDROXYANTHRANILIC ACID	A,B	1U1W	0.75
3HA	3-HYDROXYANTHRANILIC ACID	A	1YFY	0.75
ZAB	(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID	A,B	2H3S	0.75
ZAB	(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID	A,B,C,D	2H4B	0.75
A48	4-[(DIMESITYLBORYL)(2,2,2-TRIFLUOROETHYL)AMINO]PHENOL	A,B	2Q6J	0.7
1BA	4-HYDROXY-N'-(4-ISOPROPYLBENZYL)BENZOHYDRAZIDE	A	2GPP	0.7
P2C	2-[(3,5-DICHLORO-4-TRIOXIDANYLPHENYL)AMINO]BENZOIC ACID	A,B	1U21	0.71
R2C	5-METHOXY-2-[(4-PHENOXYPHENYL)AMINO]BENZOIC ACID	A	2PRL	0.73
EAB	(3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID	A,B	2H3T	0.75
TYQ	3-AMINO-6-HYDROXY-TYROSINE	A,B	1D6Y	0.7
TYQ	3-AMINO-6-HYDROXY-TYROSINE	A,B	1D6U	0.7
ST3	4-(ACETYLAMINO)-3-AMINO BENZOIC ACID	A,B	1IVE	0.71
RHO	TETRAMETHYLRHODAMINE-5-MALEIMIDE	A	1J6Z	0.7
RHO	TETRAMETHYLRHODAMINE-5-MALEIMIDE	A	1NWK	0.7
HNA	1,8-DI-HYDROXY-4-NITRO-ANTHRAQUINONE	A	1M2P	0.76
DMB		A,B	1SRI	0.86
961	3-FLUORO-4-[2-HYDROXY-2-(5,5,8,8- TETRAMETHYL-5,6,7,8,-TETRAHYDRO- NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID	A	4LBD	0.7
961	3-FLUORO-4-[2-HYDROXY-2-(5,5,8,8- TETRAMETHYL-5,6,7,8,-TETRAHYDRO- NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID	A	1EXX	0.7
NPA	2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACID	H	1NGP	0.75
LJ5	N-(3,5-dibromo-4-hydroxyphenyl)benzamide	A,B	3CN4	0.71
BIE	(3,4-DIHYDROXY-2-NITROPHENYL)(PHENYL)METHANONE	A,B	2CL5	0.7
A75	2-[(PHENYLSULFONYL)AMINO]-5,6,7,8- TETRAHYDRONAPHTHALENE-1-CARBOXYLIC ACID	A	1YW8	0.72
GHP	4-HYDROXYPHENYLGLYCINE	A	1DSR	0.72
DMC	3-(4-DIETHYLAMINO-2-HYDROXY-PHENYL)- 2-METHYL-PROPIONIC ACID	G	4GCH	0.71
MOB		A,B	1SRH	0.75
MHB		A,B	1SRG	0.87
TYZ	PARA ACETAMIDO BENZOIC ACID	B,C	2BNI	0.72
TYZ	PARA ACETAMIDO BENZOIC ACID	A	1W5K	0.72
TYZ	PARA ACETAMIDO BENZOIC ACID	A	1W5J	0.72
TY2	3-AMINO-L-TYROSINE	A,B	2VH3	0.74
MTB		A,B	1SRF	0.88
MNY	5,8-DI-AMINO-1,4-DIHYDROXY-ANTHRAQUINONE	A	1M2R	0.78
D4P	(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACID	A	1DSR	0.72
D4P	(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D,E,F, G,H	1W7R	0.72
D4P	(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1W7Q	0.72
YOL	[[2,2'-[4-CARBOXY-1,2-PHENYLENEBIS(NITRILOMETHYLIDYNE)]BIS[PHENOLATO]](2- )-N,N',O,O']-IRON	A,B	1WZF	0.74
KY1	4-(2-AMINOPHENYL)-4-OXOBUTANOIC ACID	A,B,C,D	2CH2	0.7
AZY	3-AZIDO-L-TYROSINE	A	2YXN	0.74
135	N-(4-CARBAMIMIDOYL-PHENYL)-2-HYDROXY- BENZAMIDE	B	1GJA	0.71
MR2	3-DIPHENOL-6-NITRO-3H-BENZO[DE]ISOCHROMEN- 1-ONE	A	1TSM	0.77
DBE	bis(4-hydroxyphenyl)methanone	A	2VKU	0.7
OFL	O-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACID	A	1DVZ	0.71
U14	3-(5-AMINO-3-IMINO-3H-PYRAZOL-4- YLAZO)-BENZOIC ACID	A	2GG7	0.72
DZ1	N-(3,5-dibromo-4-hydroxyphenyl)- 2,6-dimethylbenzamide	A,B	3ESN	0.72
NAB		A,B	1SRJ	0.88
4NB	4-NITROBENZOIC ACID	A,B	3CHT	0.74
A41	5-METHYL-2-[(PHENYLSULFONYL)AMINO]BENZOIC ACID	A	1YW7	0.7
44C		A	2FBR	0.73
XP1	4-(DIMETHYLAMINO)BENZOIC ACID	A,B	2VJ1	0.75
XP1	4-(DIMETHYLAMINO)BENZOIC ACID	A	2V6N	0.75
C00	2-(4-hydroxybiphenyl-3-yl)-4-methyl- 1H-isoindole-1,3(2H)-dione	A	3BYX	0.74
C00	2-(4-hydroxybiphenyl-3-yl)-4-methyl- 1H-isoindole-1,3(2H)-dione	A	3BZ0	0.74
BE2	2-AMINOBENZOIC ACID	A,B,C,D,E,F, G,H	1F8S	0.74
BE2	2-AMINOBENZOIC ACID	E,I	1ZFP	0.74
BE2	2-AMINOBENZOIC ACID	A,B	2HU8	0.74
BE2	2-AMINOBENZOIC ACID	A,B	1AN9	0.74
BE2	2-AMINOBENZOIC ACID	A,B,C,D	2GVQ	0.74
BE2	2-AMINOBENZOIC ACID	A,B	2YR6	0.74
BE2	2-AMINOBENZOIC ACID	A,I	1E8N	0.74
BE2	2-AMINOBENZOIC ACID	A,B,C,D	1ZYK	0.74
BE2	2-AMINOBENZOIC ACID	A	1C0I	0.74
BE2	2-AMINOBENZOIC ACID	A,B	2JB3	0.74
BE2	2-AMINOBENZOIC ACID	A,B,C,D	2E4A	0.74
4MB	4-[(METHYLSULFONYL)AMINO]BENZOIC ACID	A,B	2HDS	0.74
PAB	4-AMINOBENZOIC ACID	A	1PBD	0.78
PAB	4-AMINOBENZOIC ACID	B	2DZA	0.78
PAB	4-AMINOBENZOIC ACID	A	1IUS	0.78
PAB	4-AMINOBENZOIC ACID	A	1IUU	0.78
PAB	4-AMINOBENZOIC ACID	A	1IUT	0.78
ST2	4-(ACETYLAMINO)-5-AMINO-3-HYDROXYBENZOIC ACID	A,B	1IVC	0.7
HAB		A,B	1SRE	0.88
794	2-[(CARBOXYCARBONYL)(1-NAPHTHYL)AMINO]BENZOIC ACID	A	1NO6	0.72
968	2-[(7-HYDROXY-NAPHTHALEN-1-YL)- OXALYL-AMINO]-BENZOIC ACID	A	1ONZ	0.76
SCL	ACETIC ACID SALICYLOYL-AMINO-ESTER	A	1EBV	0.7
394	R-3-FLUORO-4-[2-HYDROXY-2-(5,5,8,8- TETRAMETHYL-5,6,7,8,-TETRAHYDRO- NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID	A	1EXA	0.7
HBD	4-HYDROXYBENZAMIDE	B,C,D	1BEN	0.7
4A3	4-AMINO-3-HYDROXYBENZOIC ACID	A,B	2HDR	0.79
BHA	2-HYDROXY-4-AMINOBENZOIC ACID	A	1PBC	0.79
BHA	2-HYDROXY-4-AMINOBENZOIC ACID	A	1PBF	0.79
BHA	2-HYDROXY-4-AMINOBENZOIC ACID	A	1SXK	0.79
GAB	3-AMINOBENZOIC ACID	A,B,C,D,E,F	2PQF	0.75
GAB	3-AMINOBENZOIC ACID	A,B	3GSB	0.75
GAB	3-AMINOBENZOIC ACID	A,B,C	1GBN	0.75
GAB	3-AMINOBENZOIC ACID	A	3FHB	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
6CA		A	2FLM	0.73
709	N-(7-CARBAMIMIDOYL-NAPHTHALEN-1- YL)-3-HYDROXY-2-METHYL-BENZAMIDE	A	1ZSJ	0.74
A80	N-(5,5,8,8-TETRAMETHYL-5,8-DIHYDRO- NAPHTHALEN-2-YL)-TEREPHTHALAMIC ACID	A	2CBR	0.72