MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03676384

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
4A3	4-AMINO-3-HYDROXYBENZOIC ACID	A,B	2HDR	0.74
PPN	PARA-NITROPHENYLALANINE	I	1YTJ	0.76
TYZ	PARA ACETAMIDO BENZOIC ACID	B,C	2BNI	0.75
TYZ	PARA ACETAMIDO BENZOIC ACID	A	1W5K	0.75
TYZ	PARA ACETAMIDO BENZOIC ACID	A	1W5J	0.75
4NB	4-NITROBENZOIC ACID	A,B	3CHT	0.9
PRQ	(3S)-3-amino-3-(2-nitrophenyl)propanoic acid	C,F,I,L	2VE6	0.74
KY1	4-(2-AMINOPHENYL)-4-OXOBUTANOIC ACID	A,B,C,D	2CH2	0.76
BIE	(3,4-DIHYDROXY-2-NITROPHENYL)(PHENYL)METHANONE	A,B	2CL5	0.73
NAB		A,B	1SRJ	0.72
EAB	(3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID	A,B	2H3T	0.74
NPA	2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACID	H	1NGP	0.78
NIY	META-NITRO-TYROSINE	A	2ADP	0.73
NIY	META-NITRO-TYROSINE	A	3DIV	0.73
NIY	META-NITRO-TYROSINE	A	2H5U	0.73
NIY	META-NITRO-TYROSINE	A	1K4Q	0.73
NIY	META-NITRO-TYROSINE	B,G,O,Y	1SDA	0.73
ST3	4-(ACETYLAMINO)-3-AMINO BENZOIC ACID	A,B	1IVE	0.71
201	3-AMIDO-5-BIPHENYL-BENZOIC ACID	A	2B0M	0.74
MRE	2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACID	A,B	2V9C	0.75
ZAB	(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID	A,B	2H3S	0.74
ZAB	(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID	A,B,C,D	2H4B	0.74
AAN	2-(4-NITROPHENYL)ACETIC ACID	B	1AJN	0.83
NID	4-NITRO-INDEN-1-ONE	A,B	1DOH	0.72
SX1	2-amino-5-bromobenzoic acid	A,B	3CIZ	0.71
DMB		A,B	1SRI	0.74
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
MNP	2-(3-NITROPHENYL)ACETIC ACID	B	1AI5	0.82
PAB	4-AMINOBENZOIC ACID	A	1PBD	0.81
PAB	4-AMINOBENZOIC ACID	B	2DZA	0.81
PAB	4-AMINOBENZOIC ACID	A	1IUS	0.81
PAB	4-AMINOBENZOIC ACID	A	1IUU	0.81
PAB	4-AMINOBENZOIC ACID	A	1IUT	0.81
FDI	4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACID	A	1B9S	0.71
B23	5-(2-NITROPHENYL)-2-FUROIC ACID	A	2Q92	0.71
RAC	4-(2-DIMETHYLCARBAMOYL-PHENYLCARBAMOYLOXYMETHYL)- BENZOIC ACID	H	1MEX	0.7
MCG	(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINE	A,B	1ISS	0.74
MTB		A,B	1SRF	0.74
AHC	4-AMINOHYDROCINNAMIC ACID	A,B	2AY1	0.73
OFL	O-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACID	A	1DVZ	0.73
RPN	(R)-1-PARA-NITRO-PHENYL-2-AZIDO- ETHANOL	A,B,C,D	1PX0	0.72
RPN	(R)-1-PARA-NITRO-PHENYL-2-AZIDO- ETHANOL	A,B,C,D	2ZHM	0.72
RPN	(R)-1-PARA-NITRO-PHENYL-2-AZIDO- ETHANOL	A	2ZHN	0.72
4BA	4-[(2-CARBOXY-ETHYLAMINO)-METHYL]- BENZOIC ACID	C	1FAV	0.7
CIN	4-CARBOXYCINNAMIC ACID	A,B,C,D	1HAB	0.71
CIN	4-CARBOXYCINNAMIC ACID	A,B	1T6J	0.71
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
BPN	PARANITROBENZYL ALCOHOL	H,L	1YEG	0.73
IDB	3-[5-[(3-CARBOXY-2,4,6-TRIIODO- PHENYL)CARBAMOYL]PENTANOYLAMINO]- 2,4,6-TRIIODO-BENZOIC ACID	A	2BXN	0.7
BE2	2-AMINOBENZOIC ACID	A,B,C,D,E,F, G,H	1F8S	0.77
BE2	2-AMINOBENZOIC ACID	E,I	1ZFP	0.77
BE2	2-AMINOBENZOIC ACID	A,B	2HU8	0.77
BE2	2-AMINOBENZOIC ACID	A,B	1AN9	0.77
BE2	2-AMINOBENZOIC ACID	A,B,C,D	2GVQ	0.77
BE2	2-AMINOBENZOIC ACID	A,B	2YR6	0.77
BE2	2-AMINOBENZOIC ACID	A,I	1E8N	0.77
BE2	2-AMINOBENZOIC ACID	A,B,C,D	1ZYK	0.77
BE2	2-AMINOBENZOIC ACID	A	1C0I	0.77
BE2	2-AMINOBENZOIC ACID	A,B	2JB3	0.77
BE2	2-AMINOBENZOIC ACID	A,B,C,D	2E4A	0.77
53N	3-[5-(3-nitrophenyl)thiophen-2- yl]propanoic acid	A	3DN5	0.71
LZQ	4-[3-(dibenzylamino)phenyl]-2,4- dioxobutanoic acid	A	3EB1	0.72
U14	3-(5-AMINO-3-IMINO-3H-PYRAZOL-4- YLAZO)-BENZOIC ACID	A	2GG7	0.72
GAB	3-AMINOBENZOIC ACID	A,B,C,D,E,F	2PQF	0.78
GAB	3-AMINOBENZOIC ACID	A,B	3GSB	0.78
GAB	3-AMINOBENZOIC ACID	A,B,C	1GBN	0.78
GAB	3-AMINOBENZOIC ACID	A	3FHB	0.78
GBS	4-GUANIDINOBENZOIC ACID	X	2AH4	0.72
GBS	4-GUANIDINOBENZOIC ACID	A	1GBT	0.72
GBS	4-GUANIDINOBENZOIC ACID	A	1RTK	0.72
GBS	4-GUANIDINOBENZOIC ACID	A	3DFL	0.72
4FC		A	1YSG	0.7
KYN	KYNURENINE	A,B,C,D	2R2N	0.72
KYN	KYNURENINE	A,B	3E2Z	0.72
KYN	KYNURENINE	A	1XT7	0.72
KYN	KYNURENINE	A	1T5M	0.72
KYN	KYNURENINE	A	1T5N	0.72
KYN	KYNURENINE	A	2VOV	0.72
KYN	KYNURENINE	A	2VOX	0.72
MHB		A,B	1SRG	0.75
FLF	2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID	A,B	1BM7	0.73
FLF	2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID	A	1S2C	0.73
FLF	2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID	A	2PIX	0.73
A80	N-(5,5,8,8-TETRAMETHYL-5,8-DIHYDRO- NAPHTHALEN-2-YL)-TEREPHTHALAMIC ACID	A	2CBR	0.74
4MB	4-[(METHYLSULFONYL)AMINO]BENZOIC ACID	A,B	2HDS	0.78
HNA	1,8-DI-HYDROXY-4-NITRO-ANTHRAQUINONE	A	1M2P	0.74
A41	5-METHYL-2-[(PHENYLSULFONYL)AMINO]BENZOIC ACID	A	1YW7	0.74
NPC	4-HYDROXY-3-NITROPHENYLACETYL-EPSILON- AMINOCAPROIC ACID ANION	H,I,J	1A6V	0.71
761	3-(OXALYL-AMINO)-NAPHTHALENE-2- CARBOXYLIC ACID	A	1C84	0.71
TNS		A,B,L	2G2R	0.73
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
HAB		A,B	1SRE	0.76
A75	2-[(PHENYLSULFONYL)AMINO]-5,6,7,8- TETRAHYDRONAPHTHALENE-1-CARBOXYLIC ACID	A	1YW8	0.71
F77	3-ETHYL-6-{[(4-FLUOROPHENYL)SULFONYL]AMINO}- 2-METHYLBENZOIC ACID	A	2EA2	0.71
MR2	3-DIPHENOL-6-NITRO-3H-BENZO[DE]ISOCHROMEN- 1-ONE	A	1TSM	0.75
MNB	5-MERCAPTO-2-NITRO-BENZOIC ACID	A	1F42	0.8
MNB	5-MERCAPTO-2-NITRO-BENZOIC ACID	A	1RXE	0.8
MNB	5-MERCAPTO-2-NITRO-BENZOIC ACID	A	2PER	0.8
XP1	4-(DIMETHYLAMINO)BENZOIC ACID	A,B	2VJ1	0.78
XP1	4-(DIMETHYLAMINO)BENZOIC ACID	A	2V6N	0.78
NTD	2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE- 1,3-DIONE	A,B	1T47	0.82
3B4	2-(cyclohexylamino)benzoic acid	A,B	3B4P	0.72