MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00002480

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
201	3-AMIDO-5-BIPHENYL-BENZOIC ACID	A	2B0M	0.75
KYN	KYNURENINE	A,B,C,D	2R2N	0.71
KYN	KYNURENINE	A,B	3E2Z	0.71
KYN	KYNURENINE	A	1XT7	0.71
KYN	KYNURENINE	A	1T5M	0.71
KYN	KYNURENINE	A	1T5N	0.71
KYN	KYNURENINE	A	2VOV	0.71
KYN	KYNURENINE	A	2VOX	0.71
KY1	4-(2-AMINOPHENYL)-4-OXOBUTANOIC ACID	A,B,C,D	2CH2	0.71
1PA	PHENYLMETHYLACETIC ACID ALANINE	I	1BHF	0.74
MEA	N-METHYLPHENYLALANINE	A	2PIL	0.71
MEA	N-METHYLPHENYLALANINE	A,B,C,D	1H0I	0.71
MEA	N-METHYLPHENYLALANINE	A,B,I	1DOJ	0.71
NDD	2,6-DICARBOXYNAPHTHALENE	A	1U4O	0.71
NDD	2,6-DICARBOXYNAPHTHALENE	A,B,C,D	1HAC	0.71
PPY	3-PHENYLPYRUVIC ACID	A,B	2Q5O	0.7
PPY	3-PHENYLPYRUVIC ACID	A,B	1LCO	0.7
PPY	3-PHENYLPYRUVIC ACID	A,B,C,D,E,F	2ZF4	0.7
PPY	3-PHENYLPYRUVIC ACID	A,B	1BW9	0.7
791	2-PHENYLMALONIC ACID	A	1O4P	0.72
FLP	FLURBIPROFEN	A,B,C,D	3PGH	0.7
FLP	FLURBIPROFEN	A,B	1CQE	0.7
FLP	FLURBIPROFEN	A,B	1EQH	0.7
FLP	FLURBIPROFEN	A,B	2AYL	0.7
FLP	FLURBIPROFEN	A	1DVT	0.7
FLP	FLURBIPROFEN	A	1R9O	0.7
TCQ	3-((3E)-4-(HYDROXYMETHYL)-6-OXO- 3-{[(1S,2R)-2-PHENYLCYCLOPROPYL]IMINO}CYCLOHEXA- 1,4-DIEN-1-YL)ALANINE	A,B	1W4N	0.71
FOG	(4S,5S)-5-amino-4-hydroxy-6-phenylhexanoic acid	I	1EED	0.75
MCG	(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINE	A,B	1ISS	0.72
MN7	1-CARBOXY-4-ISOBUTYLAMINOMETHYLBENZENE	N	1NLO	0.73
MFD	(2S,3S,8S,9S)-3-AMINO-9-METHOXY- 2,6,8-TRIMETHYL-10-PHENYLDECA-4,6- DIENOIC ACID	A	1AY3	0.71
23N	(2R)-2-benzyl-3-nitropropanoic acid	A	2RFH	0.7
PG9	D-PHENYLGLYCINE	A,B,G,H	10GS	0.72
PG9	D-PHENYLGLYCINE	A,B,C,D	2B4K	0.72
HPE	HOMOPHENYLALANINE	A,B	1B1H	0.77
4PH	4-methyl-L-phenylalanine	B,C	3BV9	0.75
NLA	NAPHTHALEN-1-YL-ACETIC ACID	A,B,C,D	1LRH	0.71
NLA	NAPHTHALEN-1-YL-ACETIC ACID	B	2P1O	0.71
HMF	2-AMINO-4-PHENYL-BUTYRIC ACID	I,J	1AY6	0.77
NAL	BETA-(2-NAPHTHYL)-ALANINE	A,B	2ITK	0.76
NAL	BETA-(2-NAPHTHYL)-ALANINE	H,I	4THN	0.76
NAL	BETA-(2-NAPHTHYL)-ALANINE	A,B	2Q5A	0.76
NAL	BETA-(2-NAPHTHYL)-ALANINE	A	1ZWU	0.76
NAL	BETA-(2-NAPHTHYL)-ALANINE	A	1SKL	0.76
NAL	BETA-(2-NAPHTHYL)-ALANINE	H,I	5GDS	0.76
NAL	BETA-(2-NAPHTHYL)-ALANINE	A	1ZH0	0.76
NAL	BETA-(2-NAPHTHYL)-ALANINE	A,B	2JT9	0.76
0A9	methyl L-phenylalaninate	A	1AY2	0.7
0A9	methyl L-phenylalaninate	I	5ER1	0.7
0A9	methyl L-phenylalaninate	I,P	1HDT	0.7
HOP	(1S,2S,5S)2-(4-GLUTARIDYLBENZYL)- 5-PHENYL-1-CYCLOHEXANOL	H,L	1D6V	0.75
HOP	(1S,2S,5S)2-(4-GLUTARIDYLBENZYL)- 5-PHENYL-1-CYCLOHEXANOL	A,B,H,L	1AXS	0.75
ALN	NAPHTHALEN-2-YL-3-ALANINE	A,B,I,J	2FIV	0.78
ALN	NAPHTHALEN-2-YL-3-ALANINE	A,B	1B0H	0.78
ALN	NAPHTHALEN-2-YL-3-ALANINE	B	1FIV	0.78
ALN	NAPHTHALEN-2-YL-3-ALANINE	A,B,I,J	3FIV	0.78
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K5S	0.7
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1KEC	0.7
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K7D	0.7
BEY	(2S)-3-[(R)-[(1S)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]- 2-benzylpropanoic acid	A	3EBI	0.79
HBC	(2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT- 2-YL)-PHENYL-METHANONE	H	1JGU	0.73
156	4-[3-OXO-3-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTHALEN-2- YL)-PROPENYL]-BENZOIC ACID	A	1FCZ	0.73
IOY	P-IODO-D-PHENYLALANINE	A	1XBU	0.73
KPV	5-PHENYL-2-KETO-VALERIC ACID	A,B	2Q5Q	0.7
CXA	PHENYLALANINE-N-SULFONAMIDE	A	1IY7	0.72
NHL	(4S)-4-(2-NAPHTHYLMETHYL)-D-GLUTAMIC ACID	A	2OHV	0.76
TTB	4-[(1E)-2-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRONAPHTHALEN-2- YL)PROP-1-ENYL]BENZOIC ACID	A	1XAP	0.72
DPN	D-PHENYLALANINE	P	1MCS	0.75
DPN	D-PHENYLALANINE	A	1GOE	0.75
DPN	D-PHENYLALANINE	A	2RM9	0.75
DPN	D-PHENYLALANINE	A	1SOC	0.75
DPN	D-PHENYLALANINE	B,C,E,F	1SFQ	0.75
DPN	D-PHENYLALANINE	I	1ABJ	0.75
DPN	D-PHENYLALANINE	P	1DWE	0.75
DPN	D-PHENYLALANINE	I,M	1HLT	0.75
DPN	D-PHENYLALANINE	A,H,L	1J9C	0.75
DPN	D-PHENYLALANINE	I,T	1TMB	0.75
DPN	D-PHENYLALANINE	A	2JRY	0.75
DPN	D-PHENYLALANINE	A	2SOC	0.75
DPN	D-PHENYLALANINE	A	2YYF	0.75
DPN	D-PHENYLALANINE	I	2HGT	0.75
DPN	D-PHENYLALANINE	A,D	2Q3I	0.75
DPN	D-PHENYLALANINE	A,P	1MCD	0.75
DPN	D-PHENYLALANINE	P	1HAO	0.75
DPN	D-PHENYLALANINE	A,B,I	1Z8J	0.75
DPN	D-PHENYLALANINE	A,B,C	2PGQ	0.75
DPN	D-PHENYLALANINE	C,D,H,I,L,M, X,Y	1DVA	0.75
DPN	D-PHENYLALANINE	P	1NRR	0.75
DPN	D-PHENYLALANINE	I	1PPB	0.75
DPN	D-PHENYLALANINE	C,D,G,H	1NU7	0.75
DPN	D-PHENYLALANINE	I	2HPP	0.75
DPN	D-PHENYLALANINE	B,C	2OD3	0.75
DPN	D-PHENYLALANINE	A	1B0Q	0.75
DPN	D-PHENYLALANINE	B,C,E,F	1NU9	0.75
DPN	D-PHENYLALANINE	A,B,I	1Z8I	0.75
DPN	D-PHENYLALANINE	H,I,J	1TMU	0.75
DPN	D-PHENYLALANINE	A,B,C,D,E,F	2DNS	0.75
DPN	D-PHENYLALANINE	A	1GO9	0.75
DPN	D-PHENYLALANINE	B,C,E,F	1A0H	0.75
DPN	D-PHENYLALANINE	P	1MCF	0.75
DPN	D-PHENYLALANINE	A	2RME	0.75
DPN	D-PHENYLALANINE	H,I	1TMT	0.75
DPN	D-PHENYLALANINE	I	1ABI	0.75
DPN	D-PHENYLALANINE	R	1NRQ	0.75
DPN	D-PHENYLALANINE	B,C,F,G	2A1D	0.75
DPN	D-PHENYLALANINE	A,B	2Q33	0.75
DPN	D-PHENYLALANINE	C,H,L	1DAN	0.75
DPN	D-PHENYLALANINE	P	1MCE	0.75
DPN	D-PHENYLALANINE	B,C,E,F	2A45	0.75
DPN	D-PHENYLALANINE	A	2RMI	0.75
DPN	D-PHENYLALANINE	A,B,I	1TQ7	0.75
DPN	D-PHENYLALANINE	A	1W7M	0.75
DPN	D-PHENYLALANINE	P	1HAP	0.75
DPN	D-PHENYLALANINE	A,B	1ORF	0.75
DPN	D-PHENYLALANINE	I	1IHS	0.75
DPN	D-PHENYLALANINE	P	1MCC	0.75
DPN	D-PHENYLALANINE	A	2RMD	0.75
DPN	D-PHENYLALANINE	A	2JQB	0.75
DPN	D-PHENYLALANINE	I	2HPQ	0.75
DPN	D-PHENYLALANINE	C,E,F	1SHH	0.75
DPN	D-PHENYLALANINE	A,I	1CVR	0.75
DPN	D-PHENYLALANINE	L,P	1AUT	0.75
DPN	D-PHENYLALANINE	P	1MCI	0.75
DPN	D-PHENYLALANINE	H,I	3F6U	0.75
DPN	D-PHENYLALANINE	A	1BFW	0.75
DPN	D-PHENYLALANINE	H,I	1HAI	0.75
DPN	D-PHENYLALANINE	B,C	2THF	0.75
DPN	D-PHENYLALANINE	I	1IHT	0.75
DPN	D-PHENYLALANINE	A,P	1MCJ	0.75
DPN	D-PHENYLALANINE	A	1TKH	0.75
DPN	D-PHENYLALANINE	C,H,L,T	2FIR	0.75
DPN	D-PHENYLALANINE	A	2FMZ	0.75
DPN	D-PHENYLALANINE	A	1YL9	0.75
DPN	D-PHENYLALANINE	I	1HUT	0.75
DPN	D-PHENYLALANINE	I	1FXY	0.75
DPN	D-PHENYLALANINE	A	1YL8	0.75
DPN	D-PHENYLALANINE	C,H,L	1QFK	0.75
DPN	D-PHENYLALANINE	P	1MCB	0.75
173	BENZOYL-FORMIC ACID	A,B	1SZE	0.72
FRF	PHE-REDUCED-PHE	A,I	1GVX	0.73
BR4	6-PHENYL-4(R)-(7-PHENYL-HEPTANOYLAMINO)- HEXANOIC ACID	A	1KQU	0.75
1ZN	(2S,3S,4E,6E,8S,9S)-3-amino-9-methoxy- 2,6,8-trimethyl-10-phenyldeca-4,6- dienoic acid	C,F,M,N	2IAE	0.71
TFQ	4-(2,2,2-TRIFLUOROETHYL)-L-PHENYLALANINE	A	3D6V	0.73
AN1	3-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACID	H,Y	1LO3	0.7
DFA	DIPHENYLACETIC ACID	A,B,C	1GMY	0.74
4FC		A	1YSG	0.72
HSI	(3R)-3-{4-[(4-CHLOROPHENYL)ETHYNYL]BENZOYL}NONANOIC ACID	A	2Z2D	0.72
BNA	BIS-(NAPHTHYL-1-METHYL) ACETIC ACID	I	4ER1	0.71
BNA	BIS-(NAPHTHYL-1-METHYL) ACETIC ACID	A	1FQ5	0.71
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A,B,M,N	1FJM	0.75
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A	1EVA	0.75
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A	1LCM	0.75
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A,B,C,D,E,F, G,H	2NYM	0.75
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	C,I	2IE3	0.75
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	C,F,X,Y	2NPP	0.75
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A	1EVC	0.75
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	C,F,G,H	3DW8	0.75
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A,B,C,D,E,F, G,H	2NYL	0.75
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A	1EVD	0.75
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A	1EVB	0.75
BIF	(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACID	G,M,P,S	1YYL	0.79
BIF	(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACID	G,M,P,S	2I5Y	0.79
PHI	IODO-PHENYLALANINE	A	1TF9	0.73
PHI	IODO-PHENYLALANINE	A,B,C,D	1ORW	0.73
PHI	IODO-PHENYLALANINE	A	1T6H	0.73
PHI	IODO-PHENYLALANINE	A,B,C	1NLU	0.73
PHI	IODO-PHENYLALANINE	A,I	1GA1	0.73
PHI	IODO-PHENYLALANINE	A,I	1GA4	0.73
PHI	IODO-PHENYLALANINE	P	1CZI	0.73
PM3	2-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)- PROPIONIC ACID	A,L,M	3FEA	0.7
PM3	2-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)- PROPIONIC ACID	P	1CWD	0.7
PM3	2-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)- PROPIONIC ACID	L	3FE7	0.7
PM3	2-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)- PROPIONIC ACID	B	2GV2	0.7
PM3	2-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)- PROPIONIC ACID	B,D	1CWE	0.7
564	6-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTALENE-2-CARBONYL)- NAPHTALENE-2-CARBOXYLIC ACID	A	1FCY	0.71
FBC		A,B	2B9A	0.72
TYT	TYROSINE DERIVATIVE	A,B	1LVN	0.72
IGL	ALPHA-AMINO-2-INDANACETIC ACID	A	1BDK	0.78
BFL		A,B	1Q4G	0.72
PFF	4-FLUORO-L-PHENYLALANINE	A	3F3C	0.73
PFF	4-FLUORO-L-PHENYLALANINE	A,C,E,F	2UUE	0.73
PFF	4-FLUORO-L-PHENYLALANINE	A	1ZNT	0.73
PFF	4-FLUORO-L-PHENYLALANINE	F,H	1OL1	0.73
PFF	4-FLUORO-L-PHENYLALANINE	A,C,F,H	2C5V	0.73
PFF	4-FLUORO-L-PHENYLALANINE	E,F	1OL2	0.73
PBF	PARA-(BENZOYL)-PHENYLALANINE	A	2FR9	0.86
PBF	PARA-(BENZOYL)-PHENYLALANINE	A,B	1EEN	0.86
PBF	PARA-(BENZOYL)-PHENYLALANINE	A	2HGZ	0.86
PBF	PARA-(BENZOYL)-PHENYLALANINE	A	2FRB	0.86
KAF	N-{(5S)-4,4-dihydroxy-6-phenyl- 5-[(phenylcarbonyl)amino]hexanoyl}- L-phenylalanine	A	3BKK	0.73
TRZ	TRAZEOLIDE	A	1C12	0.74
OSB	2-SUCCINYLBENZOATE	A	1FHV	0.73
OSB	2-SUCCINYLBENZOATE	A,B,C,D	1SJB	0.73
OSB	2-SUCCINYLBENZOATE	A,B	2QVH	0.73
IBP	IBUPROFEN	A	3FKX	0.71
IBP	IBUPROFEN	A,B	2BXG	0.71
IBP	IBUPROFEN	A,B	1EQG	0.71
IBP	IBUPROFEN	A,B,C	2WD9	0.71
IBP	IBUPROFEN	A	2PWS	0.71
APD	3-METHYLPHENYLALANINE	A,B,C	1GMY	0.75
ELI	6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN- 2-YL)HEXANOIC ACID	A,B	2GH5	0.77
LLG	2-aminoethyl naphthalen-1-ylacetate	A	3BC4	0.73
BJI	1(R)-1-ACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID	A	1ERM	0.72
1TY	3-{(3E)-4-HYDROXY-6-OXO-3-[(2-PHENYLETHYL)IMINO]CYCLOHEXA- 1,4-DIEN-1-YL}ALANINE	A,B	2CWU	0.7
4AF	4-ACETYL-L-PHENYLALANINE	A	1ZH6	0.82
FE3	4-(2-aminoethyl)-3-chlorobenzoic acid	A,B	2K1Q	0.73
4BA	4-[(2-CARBOXY-ETHYLAMINO)-METHYL]- BENZOIC ACID	C	1FAV	0.71
PSA	3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACID	I	1EPL	0.75
PSA	3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACID	A,B,C,D	2IFW	0.75
PSA	3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACID	E,I	1EPM	0.75
26C		A,B	2F7I	0.72
ZAE	N-methyl-D-phenylalanine	H,I,R	1TBZ	0.71
BJP	(1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID	A	1ERO	0.76