MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02489667

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
JUG	5-hydroxynaphthalene-1,4-dione	A,B,C,D,E,F	3B7J	0.71
HAB		A,B	1SRE	0.85
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
3AB	3-aminobenzamide	A,B,C,D	3GOY	0.72
BIE	(3,4-DIHYDROXY-2-NITROPHENYL)(PHENYL)METHANONE	A,B	2CL5	0.73
MOY	[(4R)-4-(3-HYDROXYPHENYL)-1,6-DIMETHYL- 2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN- 5-YL](PHENYL)METHANONE	A,B	2IEH	0.73
NU1	8-HYDROXY-2-METHYL-3-HYDRO-QUINAZOLIN- 4-ONE	A	4PAX	0.7
EAB	(3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID	A,B	2H3T	0.74
GHP	4-HYDROXYPHENYLGLYCINE	A	1DSR	0.75
MCM	7-AMINO-4-METHYL-CHROMEN-2-ONE	A,B,C,D,I,J, K,L	3EWF	0.7
MCM	7-AMINO-4-METHYL-CHROMEN-2-ONE	A,B,I,L	2V5W	0.7
MCM	7-AMINO-4-METHYL-CHROMEN-2-ONE	B	1VDN	0.7
MCM	7-AMINO-4-METHYL-CHROMEN-2-ONE	C	1VAI	0.7
IBR		A	9EST	0.71
U14	3-(5-AMINO-3-IMINO-3H-PYRAZOL-4- YLAZO)-BENZOIC ACID	A	2GG7	0.76
TYZ	PARA ACETAMIDO BENZOIC ACID	B,C	2BNI	0.73
TYZ	PARA ACETAMIDO BENZOIC ACID	A	1W5K	0.73
TYZ	PARA ACETAMIDO BENZOIC ACID	A	1W5J	0.73
BE2	2-AMINOBENZOIC ACID	A,B,C,D,E,F, G,H	1F8S	0.79
BE2	2-AMINOBENZOIC ACID	E,I	1ZFP	0.79
BE2	2-AMINOBENZOIC ACID	A,B	2HU8	0.79
BE2	2-AMINOBENZOIC ACID	A,B	1AN9	0.79
BE2	2-AMINOBENZOIC ACID	A,B,C,D	2GVQ	0.79
BE2	2-AMINOBENZOIC ACID	A,B	2YR6	0.79
BE2	2-AMINOBENZOIC ACID	A,I	1E8N	0.79
BE2	2-AMINOBENZOIC ACID	A,B,C,D	1ZYK	0.79
BE2	2-AMINOBENZOIC ACID	A	1C0I	0.79
BE2	2-AMINOBENZOIC ACID	A,B	2JB3	0.79
BE2	2-AMINOBENZOIC ACID	A,B,C,D	2E4A	0.79
DB1	2,3-DIHYDROXYBENZAMIDE	A,B,C	1X71	0.74
4NL	4-AMINOPHENOL	A	2ORL	0.73
MRE	2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACID	A,B	2V9C	0.73
EOZ	3,5-BIS[(PHOSPHONOACETYL)AMINO]BENZOIC ACID	A,B,C,D	2FZK	0.7
BFS	N-[1-(4-BROMOPHENYL)ETHYL]-5-FLUORO SALICYLAMIDE	A	1STD	0.71
BFS	N-[1-(4-BROMOPHENYL)ETHYL]-5-FLUORO SALICYLAMIDE	A,B,C	4STD	0.71
SAL	2-HYDROXYBENZOIC ACID	A	2I2Z	0.7
SAL	2-HYDROXYBENZOIC ACID	A,B,C	1FIQ	0.7
SAL	2-HYDROXYBENZOIC ACID	A	2I30	0.7
SAL	2-HYDROXYBENZOIC ACID	A,B	1PTH	0.7
SAL	2-HYDROXYBENZOIC ACID	A,B	3DEU	0.7
SAL	2-HYDROXYBENZOIC ACID	A,B,C,D	2E1Q	0.7
SAL	2-HYDROXYBENZOIC ACID	A,B	3HGX	0.7
SAL	2-HYDROXYBENZOIC ACID	A,B	3BPX	0.7
SAL	2-HYDROXYBENZOIC ACID	A	1WYG	0.7
SAL	2-HYDROXYBENZOIC ACID	A	1JGS	0.7
SAL	2-HYDROXYBENZOIC ACID	X	1M6E	0.7
SAL	2-HYDROXYBENZOIC ACID	A	3B9M	0.7
SAL	2-HYDROXYBENZOIC ACID	A,B	1FO4	0.7
SAL	2-HYDROXYBENZOIC ACID	A,B	1Y7I	0.7
SAL	2-HYDROXYBENZOIC ACID	A,B	2FN1	0.7
2AF	2-AMINOPHENOL	A	1L4N	0.71
MCG	(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINE	A,B	1ISS	0.72
AZY	3-AZIDO-L-TYROSINE	A	2YXN	0.8
4MB	4-[(METHYLSULFONYL)AMINO]BENZOIC ACID	A,B	2HDS	0.76
421	6-CARBAMIMIDOYL-4-(3-HYDROXY-2- METHYL-BENZOYLAMINO)-NAPHTHALENE- 2-CARBOXYLIC ACID METHYL ESTER	A	1ZSK	0.7
NIY	META-NITRO-TYROSINE	A	2ADP	0.75
NIY	META-NITRO-TYROSINE	A	3DIV	0.75
NIY	META-NITRO-TYROSINE	A	2H5U	0.75
NIY	META-NITRO-TYROSINE	A	1K4Q	0.75
NIY	META-NITRO-TYROSINE	B,G,O,Y	1SDA	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
AC6	P-HYDROXYACETOPHENONE	A	2GQ8	0.74
AC6	P-HYDROXYACETOPHENONE	X	2O48	0.74
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
136	N-(4-CARBAMIMIDOYL-3-CHORO-PHENYL)- 2-HYDROXY-3-IODO-5-METHYL-BENZAMIDE	B	1GJD	0.7
G50	3-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)PROPAN- 1-ONE	A,B	2UXI	0.71
201	3-AMIDO-5-BIPHENYL-BENZOIC ACID	A	2B0M	0.7
DMB		A,B	1SRI	0.84
GAB	3-AMINOBENZOIC ACID	A,B,C,D,E,F	2PQF	0.83
GAB	3-AMINOBENZOIC ACID	A,B	3GSB	0.83
GAB	3-AMINOBENZOIC ACID	A,B,C	1GBN	0.83
GAB	3-AMINOBENZOIC ACID	A	3FHB	0.83
ST2	4-(ACETYLAMINO)-5-AMINO-3-HYDROXYBENZOIC ACID	A,B	1IVC	0.71
LI7	(3E)-3-[(4-HYDROXYPHENYL)IMINO]- 1H-INDOL-2(3H)-ONE	A	1YXX	0.75
SCL	ACETIC ACID SALICYLOYL-AMINO-ESTER	A	1EBV	0.76
2TY	2-HYDROXY-5-{[(1E)-2-PHENYLETHYLIDENE]AMINO}- L-TYROSINE	A,B	2CWV	0.73
MIX	1,4-DIHYDROXY-5,8-BIS({2-[(2-HYDROXYETHYL)AMINO]ETHYL}AMINO)- 9,10-ANTHRACENEDIONE	A,B,C,D	2FUM	0.71
DZ2	2,5-dichloro-N-(3,5-dibromo-4-hydroxyphenyl)benzamide	A,B	3ESO	0.7
ICU	METHYL(2-ACETOXY-2-(2-CARBOXY-4- AMINO-PHENYL))ACETATE	A	1JIM	0.72
YOF	3-FLUOROTYROSINE	A,B	1XIL	0.72
YOF	3-FLUOROTYROSINE	A,B	1XDC	0.72
YOF	3-FLUOROTYROSINE	A	1RRX	0.72
YOF	3-FLUOROTYROSINE	A,B	3FYG	0.72
NTD	2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE- 1,3-DIONE	A,B	1T47	0.73
OBA	2-(OXALYL-AMINO)-BENZOIC ACID	A	1C85	0.7
UA1	N-(TERT-BUTOXYCARBONYL)-L-TYROSYL- N-METHYL-4-(SULFOAMINO)-L-PHENYLALANINAMIDE	A	2I4H	0.7
UA1	N-(TERT-BUTOXYCARBONYL)-L-TYROSYL- N-METHYL-4-(SULFOAMINO)-L-PHENYLALANINAMIDE	A	2I4G	0.7
TYQ	3-AMINO-6-HYDROXY-TYROSINE	A,B	1D6Y	0.75
TYQ	3-AMINO-6-HYDROXY-TYROSINE	A,B	1D6U	0.75
NPA	2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACID	H	1NGP	0.74
IC1	3-[(2,4,6-TRIMETHOXY-PHENYL)-METHYLENE]- INDOLIN-2-ONE	A,B	1EH4	0.7
PAB	4-AMINOBENZOIC ACID	A	1PBD	0.79
PAB	4-AMINOBENZOIC ACID	B	2DZA	0.79
PAB	4-AMINOBENZOIC ACID	A	1IUS	0.79
PAB	4-AMINOBENZOIC ACID	A	1IUU	0.79
PAB	4-AMINOBENZOIC ACID	A	1IUT	0.79
SHA	SALICYLHYDROXAMIC ACID	X	1V0H	0.78
SHA	SALICYLHYDROXAMIC ACID	A	2QPK	0.78
SHA	SALICYLHYDROXAMIC ACID	A	3FNL	0.78
SHA	SALICYLHYDROXAMIC ACID	A	3GCJ	0.78
SHA	SALICYLHYDROXAMIC ACID	A	1CK6	0.78
MTY	META-TYROSINE	A	2TOH	0.72
MTY	META-TYROSINE	A,B	1BIQ	0.72
MTY	META-TYROSINE	A	1Q7O	0.72
SGI	3-(4-hydroxyphenyl)propanamide	A,B	2R9K	0.76
FLF	2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID	A,B	1BM7	0.76
FLF	2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID	A	1S2C	0.76
FLF	2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID	A	2PIX	0.76
1BA	4-HYDROXY-N'-(4-ISOPROPYLBENZYL)BENZOHYDRAZIDE	A	2GPP	0.73
3FT		A	2BXV	0.71
DGH	(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1W7Q	0.75
DGH	(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D,E,F, G,H	1W7R	0.75
MNY	5,8-DI-AMINO-1,4-DIHYDROXY-ANTHRAQUINONE	A	1M2R	0.82
SOA	ISATOIC ANHYDRIDE	A	1BIO	0.71
OHP	(2-HYDROXYPHENYL)ACETIC ACID	A	2INZ	0.7
HNA	1,8-DI-HYDROXY-4-NITRO-ANTHRAQUINONE	A	1M2P	0.77
A80	N-(5,5,8,8-TETRAMETHYL-5,8-DIHYDRO- NAPHTHALEN-2-YL)-TEREPHTHALAMIC ACID	A	2CBR	0.73
ST3	4-(ACETYLAMINO)-3-AMINO BENZOIC ACID	A,B	1IVE	0.72
SX1	2-amino-5-bromobenzoic acid	A,B	3CIZ	0.73
DBE	bis(4-hydroxyphenyl)methanone	A	2VKU	0.77
TY2	3-AMINO-L-TYROSINE	A,B	2VH3	0.81
247	(3R)-3-amino-2,2-difluoro-3-(4- hydroxyphenyl)propanoic acid	A,B	2QVE	0.72
TYC	L-TYROSINAMIDE	A	2BF9	0.73
TYC	L-TYROSINAMIDE	A	2OCI	0.73
OFL	O-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACID	A	1DVZ	0.76
FEN	N-(4-HYDROXYPHENYL)ALL-TRANS RETINAMIDE	A	1FEL	0.73
NCR	2-NITRO-P-CRESOL	A,B	1AHV	0.7
HCC	2',4,4'-TRIHYDROXYCHALCONE	D	1FP1	0.73
D27	2-{[(2E)-3-(3,4-dimethoxyphenyl)prop- 2-enoyl]amino}benzoic acid	A,B,C,D	2VD0	0.72
3B4	2-(cyclohexylamino)benzoic acid	A,B	3B4P	0.74
KY1	4-(2-AMINOPHENYL)-4-OXOBUTANOIC ACID	A,B,C,D	2CH2	0.77
BHA	2-HYDROXY-4-AMINOBENZOIC ACID	A	1PBC	0.82
BHA	2-HYDROXY-4-AMINOBENZOIC ACID	A	1PBF	0.82
BHA	2-HYDROXY-4-AMINOBENZOIC ACID	A	1SXK	0.82
3MB	3-METHOXYBENZAMIDE	A	3PAX	0.7
IYR	3-IODO-TYROSINE	A	2D98	0.72
IYR	3-IODO-TYROSINE	A	2D8P	0.72
IYR	3-IODO-TYROSINE	A,B	3GFD	0.72
IYR	3-IODO-TYROSINE	A	2R1Q	0.72
IYR	3-IODO-TYROSINE	A	2ZP1	0.72
IYR	3-IODO-TYROSINE	A,B,C,D	2ZXV	0.72
IYR	3-IODO-TYROSINE	C	1CF0	0.72
IYR	3-IODO-TYROSINE	A	1XXZ	0.72
IYR	3-IODO-TYROSINE	A	2D97	0.72
IYR	3-IODO-TYROSINE	A	1XY9	0.72
IYR	3-IODO-TYROSINE	A	2Z10	0.72
IYR	3-IODO-TYROSINE	A	1WQ3	0.72
IYR	3-IODO-TYROSINE	A	2D8O	0.72
IYR	3-IODO-TYROSINE	A	2D8W	0.72
IYR	3-IODO-TYROSINE	A	2Z11	0.72
135	N-(4-CARBAMIMIDOYL-PHENYL)-2-HYDROXY- BENZAMIDE	B	1GJA	0.8
4AA	4-CHLORO-3-HYDROXYANTHRANILIC ACID	A	1YFW	0.7
4AA	4-CHLORO-3-HYDROXYANTHRANILIC ACID	A	1YFX	0.7
XP1	4-(DIMETHYLAMINO)BENZOIC ACID	A,B	2VJ1	0.72
XP1	4-(DIMETHYLAMINO)BENZOIC ACID	A	2V6N	0.72
DMC	3-(4-DIETHYLAMINO-2-HYDROXY-PHENYL)- 2-METHYL-PROPIONIC ACID	G	4GCH	0.72
NPC	4-HYDROXY-3-NITROPHENYLACETYL-EPSILON- AMINOCAPROIC ACID ANION	H,I,J	1A6V	0.71
968	2-[(7-HYDROXY-NAPHTHALEN-1-YL)- OXALYL-AMINO]-BENZOIC ACID	A	1ONZ	0.71
DZ1	N-(3,5-dibromo-4-hydroxyphenyl)- 2,6-dimethylbenzamide	A,B	3ESN	0.75
FDI	4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACID	A	1B9S	0.7
HBD	4-HYDROXYBENZAMIDE	B,C,D	1BEN	0.78
LJ5	N-(3,5-dibromo-4-hydroxyphenyl)benzamide	A,B	3CN4	0.78
KYN	KYNURENINE	A,B,C,D	2R2N	0.73
KYN	KYNURENINE	A,B	3E2Z	0.73
KYN	KYNURENINE	A	1XT7	0.73
KYN	KYNURENINE	A	1T5M	0.73
KYN	KYNURENINE	A	1T5N	0.73
KYN	KYNURENINE	A	2VOV	0.73
KYN	KYNURENINE	A	2VOX	0.73
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
3HA	3-HYDROXYANTHRANILIC ACID	A,B	1U1W	0.79
3HA	3-HYDROXYANTHRANILIC ACID	A	1YFY	0.79
DZ3	N-(3,5-dibromo-4-hydroxyphenyl)- 4-hydroxy-3,5-dimethylbenzamide	A,B	3ESP	0.74
A75	2-[(PHENYLSULFONYL)AMINO]-5,6,7,8- TETRAHYDRONAPHTHALENE-1-CARBOXYLIC ACID	A	1YW8	0.71
NAB		A,B	1SRJ	0.8
4A3	4-AMINO-3-HYDROXYBENZOIC ACID	A,B	2HDR	0.81
4NB	4-NITROBENZOIC ACID	A,B	3CHT	0.72
F77	3-ETHYL-6-{[(4-FLUOROPHENYL)SULFONYL]AMINO}- 2-METHYLBENZOIC ACID	A	2EA2	0.71
2AC	2-AMINO-P-CRESOL	H,I	1A2C	0.77
2AC	2-AMINO-P-CRESOL	A	1L4M	0.77
P2C	2-[(3,5-DICHLORO-4-TRIOXIDANYLPHENYL)AMINO]BENZOIC ACID	A,B	1U21	0.73
R2C	5-METHOXY-2-[(4-PHENOXYPHENYL)AMINO]BENZOIC ACID	A	2PRL	0.71
MNX	1,8-DI-HYDROXY-4-NITRO-XANTHEN- 9-ONE	A	1M2Q	0.71
MTB		A,B	1SRF	0.83
C00	2-(4-hydroxybiphenyl-3-yl)-4-methyl- 1H-isoindole-1,3(2H)-dione	A	3BYX	0.75
C00	2-(4-hydroxybiphenyl-3-yl)-4-methyl- 1H-isoindole-1,3(2H)-dione	A	3BZ0	0.75
A41	5-METHYL-2-[(PHENYLSULFONYL)AMINO]BENZOIC ACID	A	1YW7	0.73
D4P	(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACID	A	1DSR	0.75
D4P	(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D,E,F, G,H	1W7R	0.75
D4P	(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1W7Q	0.75
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
MHB		A,B	1SRG	0.86
709	N-(7-CARBAMIMIDOYL-NAPHTHALEN-1- YL)-3-HYDROXY-2-METHYL-BENZAMIDE	A	1ZSJ	0.74