MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01223492

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
HTC	3-{[(4-CARBOXY-2-HYDROXYANILINE]SULFONYL}THIOPHENE- 2-CARBOXYLIC ACID	A,B	1XGJ	0.74
A41	5-METHYL-2-[(PHENYLSULFONYL)AMINO]BENZOIC ACID	A	1YW7	0.79
878	5-IODO-2-(OXALYL-AMINO)-BENZOIC ACID	A	1ECV	0.71
IBR		A	9EST	0.71
A84	2-[({2-[(1Z)-3-(DIMETHYLAMINO)PROP- 1-ENYL]-4-FLUOROPHENYL}SULFONYL)AMINO]- 5,6,7,8-TETRAHYDRONAPHTHALENE-1- CARBOXYLIC ACID	A	1YW9	0.71
PAB	4-AMINOBENZOIC ACID	A	1PBD	0.8
PAB	4-AMINOBENZOIC ACID	B	2DZA	0.8
PAB	4-AMINOBENZOIC ACID	A	1IUS	0.8
PAB	4-AMINOBENZOIC ACID	A	1IUU	0.8
PAB	4-AMINOBENZOIC ACID	A	1IUT	0.8
NST	3-{[(3-NITROANILINE]SULFONYL}THIOPHENE- 2-CARBOXYLIC ACID	B	1XGI	0.71
F77	3-ETHYL-6-{[(4-FLUOROPHENYL)SULFONYL]AMINO}- 2-METHYLBENZOIC ACID	A	2EA2	0.75
A75	2-[(PHENYLSULFONYL)AMINO]-5,6,7,8- TETRAHYDRONAPHTHALENE-1-CARBOXYLIC ACID	A	1YW8	0.75
ICU	METHYL(2-ACETOXY-2-(2-CARBOXY-4- AMINO-PHENYL))ACETATE	A	1JIM	0.73
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
I3C	5-amino-2,4,6-triiodobenzene-1,3- dicarboxylic acid	A	3GT4	0.73
I3C	5-amino-2,4,6-triiodobenzene-1,3- dicarboxylic acid	A	3E3T	0.73
I3C	5-amino-2,4,6-triiodobenzene-1,3- dicarboxylic acid	A	3E3D	0.73
I3C	5-amino-2,4,6-triiodobenzene-1,3- dicarboxylic acid	A	3E3S	0.73
I3C	5-amino-2,4,6-triiodobenzene-1,3- dicarboxylic acid	A	3E79	0.73
53N	3-[5-(3-nitrophenyl)thiophen-2- yl]propanoic acid	A	3DN5	0.72
MNB	5-MERCAPTO-2-NITRO-BENZOIC ACID	A	1F42	0.78
MNB	5-MERCAPTO-2-NITRO-BENZOIC ACID	A	1RXE	0.78
MNB	5-MERCAPTO-2-NITRO-BENZOIC ACID	A	2PER	0.78
ZAB	(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID	A,B	2H3S	0.7
ZAB	(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID	A,B,C,D	2H4B	0.7
4MB	4-[(METHYLSULFONYL)AMINO]BENZOIC ACID	A,B	2HDS	0.82
AHC	4-AMINOHYDROCINNAMIC ACID	A,B	2AY1	0.74
IDB	3-[5-[(3-CARBOXY-2,4,6-TRIIODO- PHENYL)CARBAMOYL]PENTANOYLAMINO]- 2,4,6-TRIIODO-BENZOIC ACID	A	2BXN	0.72
ST6	4-(ACETYLAMINO)-3-[(AMINOACETYL)AMINO]BENZOIC ACID	A,B	1INH	0.73
ST4	4-(ACETYLAMINO)-3-GUANIDINOBENZOIC ACID	A	1INF	0.7
EOZ	3,5-BIS[(PHOSPHONOACETYL)AMINO]BENZOIC ACID	A,B,C,D	2FZK	0.74
HAB		A,B	1SRE	0.72
OBA	2-(OXALYL-AMINO)-BENZOIC ACID	A	1C85	0.72
CCT	5-(4-CYANOPHENYL)-3-{[(2-METHYLPHENYL)SULFONYL]AMINO}THIOPHENE- 2-CARBOXYLIC ACID	A,B	2D3U	0.73
BE2	2-AMINOBENZOIC ACID	A,B,C,D,E,F, G,H	1F8S	0.8
BE2	2-AMINOBENZOIC ACID	E,I	1ZFP	0.8
BE2	2-AMINOBENZOIC ACID	A,B	2HU8	0.8
BE2	2-AMINOBENZOIC ACID	A,B	1AN9	0.8
BE2	2-AMINOBENZOIC ACID	A,B,C,D	2GVQ	0.8
BE2	2-AMINOBENZOIC ACID	A,B	2YR6	0.8
BE2	2-AMINOBENZOIC ACID	A,I	1E8N	0.8
BE2	2-AMINOBENZOIC ACID	A,B,C,D	1ZYK	0.8
BE2	2-AMINOBENZOIC ACID	A	1C0I	0.8
BE2	2-AMINOBENZOIC ACID	A,B	2JB3	0.8
BE2	2-AMINOBENZOIC ACID	A,B,C,D	2E4A	0.8
EAB	(3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID	A,B	2H3T	0.7
MCG	(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINE	A,B	1ISS	0.74
OFL	O-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACID	A	1DVZ	0.73
SNH		A,B	2D41	0.75
A19	5-BROMO-2-{[(4-CHLOROPHENYL)SULFONYL]AMINO}BENZOIC ACID	A	2GA2	0.71
KYN	KYNURENINE	A,B,C,D	2R2N	0.7
KYN	KYNURENINE	A,B	3E2Z	0.7
KYN	KYNURENINE	A	1XT7	0.7
KYN	KYNURENINE	A	1T5M	0.7
KYN	KYNURENINE	A	1T5N	0.7
KYN	KYNURENINE	A	2VOV	0.7
KYN	KYNURENINE	A	2VOX	0.7
FIH	5-(4-FLUOROPHENYL)-3-{[(4-METHYLPHENYL)SULFONYL]AMINO}THIOPHENE- 2-CARBOXYLIC ACID	A,B	2D3Z	0.74
FLF	2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID	A,B	1BM7	0.74
FLF	2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID	A	1S2C	0.74
FLF	2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID	A	2PIX	0.74
EMT	2-(ETHYLMERCURI-THIO)-BENZOIC ACID	A,B	1KDG	0.73
EMT	2-(ETHYLMERCURI-THIO)-BENZOIC ACID	A,B,C,D	1O9L	0.73
3B4	2-(cyclohexylamino)benzoic acid	A,B	3B4P	0.73
U14	3-(5-AMINO-3-IMINO-3H-PYRAZOL-4- YLAZO)-BENZOIC ACID	A	2GG7	0.78
GAB	3-AMINOBENZOIC ACID	A,B,C,D,E,F	2PQF	0.86
GAB	3-AMINOBENZOIC ACID	A,B	3GSB	0.86
GAB	3-AMINOBENZOIC ACID	A,B,C	1GBN	0.86
GAB	3-AMINOBENZOIC ACID	A	3FHB	0.86
XP1	4-(DIMETHYLAMINO)BENZOIC ACID	A,B	2VJ1	0.73
XP1	4-(DIMETHYLAMINO)BENZOIC ACID	A	2V6N	0.73
4NB	4-NITROBENZOIC ACID	A,B	3CHT	0.74
C9P	4-(dihydroxyboranyl)-2-({[4-(phenylsulfonyl)thiophen- 2-yl]sulfonyl}amino)benzoic acid	A,B	3BM6	0.8
FDI	4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACID	A	1B9S	0.74
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
SX1	2-amino-5-bromobenzoic acid	A,B	3CIZ	0.74
DMB		A,B	1SRI	0.71
KST	N~6~-(5-CARBOXY-3-THIENYL)-L-LYSINE	A	2QA3	0.72
KST	N~6~-(5-CARBOXY-3-THIENYL)-L-LYSINE	A	2Q7W	0.72
KST	N~6~-(5-CARBOXY-3-THIENYL)-L-LYSINE	A	2QBT	0.72
KST	N~6~-(5-CARBOXY-3-THIENYL)-L-LYSINE	A	2QB3	0.72
KST	N~6~-(5-CARBOXY-3-THIENYL)-L-LYSINE	A	2QB2	0.72
STC	3-[(4-CHLOROANILINO)SULFONYL]THIOPHENE- 2-CARBOXYLIC ACID	A,B	1L2S	0.72
SM2	(1R)-1-(2-THIENYLACETYLAMINO)-1- (3-CARBOXYPHENYL)METHYLBORONIC ACID	A,B	1PI5	0.73
SM2	(1R)-1-(2-THIENYLACETYLAMINO)-1- (3-CARBOXYPHENYL)METHYLBORONIC ACID	A	1NXY	0.73
SM2	(1R)-1-(2-THIENYLACETYLAMINO)-1- (3-CARBOXYPHENYL)METHYLBORONIC ACID	A,B	1MXO	0.73
SM2	(1R)-1-(2-THIENYLACETYLAMINO)-1- (3-CARBOXYPHENYL)METHYLBORONIC ACID	A,B	1YM1	0.73
BHA	2-HYDROXY-4-AMINOBENZOIC ACID	A	1PBC	0.71
BHA	2-HYDROXY-4-AMINOBENZOIC ACID	A	1PBF	0.71
BHA	2-HYDROXY-4-AMINOBENZOIC ACID	A	1SXK	0.71
MHB		A,B	1SRG	0.72
ST3	4-(ACETYLAMINO)-3-AMINO BENZOIC ACID	A,B	1IVE	0.74
ST5	4-(ACETYLAMINO)-3-[(HYDROXYACETYL)AMINO]BENZOIC ACID	A,B	1ING	0.71
MRE	2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACID	A,B	2V9C	0.71
4BA	4-[(2-CARBOXY-ETHYLAMINO)-METHYL]- BENZOIC ACID	C	1FAV	0.71
KY1	4-(2-AMINOPHENYL)-4-OXOBUTANOIC ACID	A,B,C,D	2CH2	0.74
4A3	4-AMINO-3-HYDROXYBENZOIC ACID	A,B	2HDR	0.71