MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02875148

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
ALN	NAPHTHALEN-2-YL-3-ALANINE	A,B,I,J	2FIV	0.73
ALN	NAPHTHALEN-2-YL-3-ALANINE	A,B	1B0H	0.73
ALN	NAPHTHALEN-2-YL-3-ALANINE	B	1FIV	0.73
ALN	NAPHTHALEN-2-YL-3-ALANINE	A,B,I,J	3FIV	0.73
CPM	S-(2-CARBOXY-3-PHENYLPROPYL)THIODIIMINE- S-METHANE	A	1CPS	0.72
TTB	4-[(1E)-2-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRONAPHTHALEN-2- YL)PROP-1-ENYL]BENZOIC ACID	A	1XAP	0.75
BIF	(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACID	G,M,P,S	1YYL	0.72
BIF	(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACID	G,M,P,S	2I5Y	0.72
FL2	FLURBIPROFEN METHYL ESTER	A,B	1HT5	0.77
156	4-[3-OXO-3-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTHALEN-2- YL)-PROPENYL]-BENZOIC ACID	A	1FCZ	0.77
BTP	2-THIOMETHYL-3-PHENYLPROPANOIC ACID	A,B	1JAO	0.75
OST	METHYL (2Z)-3-METHOXY-2-{2-[(E)- 2-PHENYLVINYL]PHENYL}ACRYLATE	C,D,E	1SQQ	0.78
NDD	2,6-DICARBOXYNAPHTHALENE	A	1U4O	0.76
NDD	2,6-DICARBOXYNAPHTHALENE	A,B,C,D	1HAC	0.76
DFA	DIPHENYLACETIC ACID	A,B,C	1GMY	0.83
UIN	5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY- 3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN- 2-ONE	B	5UPJ	0.73
2NA	naphthalen-2-ylmethanol	A,B,C	3EE5	0.7
ELI	6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN- 2-YL)HEXANOIC ACID	A,B	2GH5	0.82
791	2-PHENYLMALONIC ACID	A	1O4P	0.78
B08		A,B	2E99	0.7
KPV	5-PHENYL-2-KETO-VALERIC ACID	A,B	2Q5Q	0.85
OPH	2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER	E,I	1PPM	0.79
OPH	2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER	E,I	1PPL	0.79
PHT	PHTHALIC ACID	A,B,C	2B7P	0.71
PHT	PHTHALIC ACID	A	3C2V	0.71
PHT	PHTHALIC ACID	A,B,C,D,E,F	1QPR	0.71
PHT	PHTHALIC ACID	A,B	3C2R	0.71
TRZ	TRAZEOLIDE	A	1C12	0.76
184	6-[HYDROXY-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTALEN-2- YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID	A	1FCX	0.75
RP4	(1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3- (PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE- 1-CARBOXYLIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	2CJF	0.71
173	BENZOYL-FORMIC ACID	A,B	1SZE	0.78
NAL	BETA-(2-NAPHTHYL)-ALANINE	A,B	2ITK	0.71
NAL	BETA-(2-NAPHTHYL)-ALANINE	H,I	4THN	0.71
NAL	BETA-(2-NAPHTHYL)-ALANINE	A,B	2Q5A	0.71
NAL	BETA-(2-NAPHTHYL)-ALANINE	A	1ZWU	0.71
NAL	BETA-(2-NAPHTHYL)-ALANINE	A	1SKL	0.71
NAL	BETA-(2-NAPHTHYL)-ALANINE	H,I	5GDS	0.71
NAL	BETA-(2-NAPHTHYL)-ALANINE	A	1ZH0	0.71
NAL	BETA-(2-NAPHTHYL)-ALANINE	A,B	2JT9	0.71
ENO	3-(4-HYDROXY-PHENYL)PYRUVIC ACID	H,I	1A2C	0.73
ENO	3-(4-HYDROXY-PHENYL)PYRUVIC ACID	A,B,C	1CA7	0.73
ENO	3-(4-HYDROXY-PHENYL)PYRUVIC ACID	A,B,C,D	3GGO	0.73
PBF	PARA-(BENZOYL)-PHENYLALANINE	A	2FR9	0.71
PBF	PARA-(BENZOYL)-PHENYLALANINE	A,B	1EEN	0.71
PBF	PARA-(BENZOYL)-PHENYLALANINE	A	2HGZ	0.71
PBF	PARA-(BENZOYL)-PHENYLALANINE	A	2FRB	0.71
PPY	3-PHENYLPYRUVIC ACID	A,B	2Q5O	0.85
PPY	3-PHENYLPYRUVIC ACID	A,B	1LCO	0.85
PPY	3-PHENYLPYRUVIC ACID	A,B,C,D,E,F	2ZF4	0.85
PPY	3-PHENYLPYRUVIC ACID	A,B	1BW9	0.85
564	6-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTALENE-2-CARBONYL)- NAPHTALENE-2-CARBOXYLIC ACID	A	1FCY	0.74
ISA	3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACID	A	1NX3	0.73
ISA	3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACID	A,B	1ALW	0.73
BIP	2-BENZYL-3-IODOPROPANOIC ACID	A,B,C,D	1BAV	0.77
RMN	(R)-MANDELIC ACID	A	1MDL	0.79
RMN	(R)-MANDELIC ACID	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P	1MCZ	0.79
CP5	(2Z)-3-{[OXIDO(OXO)PHOSPHINO]OXY}- 2-PHENYLACRYLATE	A	1SCW	0.7
PAC	2-PHENYLACETIC ACID	B	1PNL	0.79
PAC	2-PHENYLACETIC ACID	B	1K5Q	0.79
PAC	2-PHENYLACETIC ACID	B	1FXH	0.79
PAC	2-PHENYLACETIC ACID	A	2ISF	0.79
PAC	2-PHENYLACETIC ACID	A	2INE	0.79
BZS	L-BENZYLSUCCINIC ACID	A	1CBX	0.79
BZS	L-BENZYLSUCCINIC ACID	A	1HYT	0.79
BZS	L-BENZYLSUCCINIC ACID	A,B	1WHT	0.79
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MRA	0.77
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MNS	0.77
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1DTN	0.77
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MDR	0.77
TBC	(9S,10R)-9-HYDROXY-7,8,9,10-TETRAHYDROBENZO[A]PYRENE	A	1N8C	0.71
BFL		A,B	1Q4G	0.82
NHL	(4S)-4-(2-NAPHTHYLMETHYL)-D-GLUTAMIC ACID	A	2OHV	0.71
AN1	3-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACID	H,Y	1LO3	0.82
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.81
HPK	(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATE	A	2PUH	0.74
IBP	IBUPROFEN	A	3FKX	0.8
IBP	IBUPROFEN	A,B	2BXG	0.8
IBP	IBUPROFEN	A,B	1EQG	0.8
IBP	IBUPROFEN	A,B,C	2WD9	0.8
IBP	IBUPROFEN	A	2PWS	0.8
HHH	(2S)-hydroxy(4-hydroxyphenyl)ethanoic acid	A,B	2R5V	0.72
FLP	FLURBIPROFEN	A,B,C,D	3PGH	0.79
FLP	FLURBIPROFEN	A,B	1CQE	0.79
FLP	FLURBIPROFEN	A,B	1EQH	0.79
FLP	FLURBIPROFEN	A,B	2AYL	0.79
FLP	FLURBIPROFEN	A	1DVT	0.79
FLP	FLURBIPROFEN	A	1R9O	0.79
HSI	(3R)-3-{4-[(4-CHLOROPHENYL)ETHYNYL]BENZOYL}NONANOIC ACID	A	2Z2D	0.72
M5P	(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACID	A,B	2YZ3	0.76
SMN	(S)-MANDELIC ACID	A	1MDL	0.79
HCI	HYDROCINNAMIC ACID	A,B	1BXG	0.8
HCI	HYDROCINNAMIC ACID	A,B	1TOG	0.8
HCI	HYDROCINNAMIC ACID	A,B	1V2F	0.8
HCI	HYDROCINNAMIC ACID	A,B	1AHX	0.8
HCI	HYDROCINNAMIC ACID	A	1TOI	0.8
HCI	HYDROCINNAMIC ACID	A,B	1AY8	0.8
HCI	HYDROCINNAMIC ACID	A	1TOJ	0.8
PPT	3-(P-TOLYL)PROPIONIC ACID	A,B	2AY4	0.79
DPH	DEAMINO-METHYL-PHENYLALANINE	A	1OS0	0.79
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJI	0.79
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJJ	0.79
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2VS2	0.79
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	1OD1	0.79
DPH	DEAMINO-METHYL-PHENYLALANINE	E	1EPR	0.79
OX1		H,Y	1LO2	0.75
26C		A,B	2F7I	0.74
NLA	NAPHTHALEN-1-YL-ACETIC ACID	A,B,C,D	1LRH	0.84
NLA	NAPHTHALEN-1-YL-ACETIC ACID	B	2P1O	0.84
OSB	2-SUCCINYLBENZOATE	A	1FHV	0.77
OSB	2-SUCCINYLBENZOATE	A,B,C,D	1SJB	0.77
OSB	2-SUCCINYLBENZOATE	A,B	2QVH	0.77
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	0,1,3,4,5,9, A,B,C,H,J,K, L,M,N,O,Q,R, S,T,U,Y,Z	1VQ6	0.82
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	A,B	1C1X	0.82
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	0,1,3,4,9,A, B,C,D,F,H,J, K,L,M,N,O,Q, R,S,T,U,Y,Z	1VQP	0.82
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	0,1,2,3,4,5, 9,A,B,C,D,F, H,J,K,L,M,N, O,Q,R,S,T,U, Y,Z	1VQN	0.82
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1QRP	0.82
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	A	2CTC	0.82
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1E82	0.82
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1E81	0.82
CIN	4-CARBOXYCINNAMIC ACID	A,B,C,D	1HAB	0.72
CIN	4-CARBOXYCINNAMIC ACID	A,B	1T6J	0.72
4FC		A	1YSG	0.74
PIC	6-(DIFLUORO-PHOSPHONO-METHYL)-NAPHTHALENE- 2-CARBOXYLIC ACID	A	1BZJ	0.7
295	(2S,3S)-3-(4-fluorophenyl)-2,3- dihydroxypropanoic acid	A,B	2RJR	0.74
BP4	BIPHENYL-4-YL-ACETALDEHYDE	A,B,E,F,G,H	1MHW	0.73
4MA	4-METHYLBENZOIC ACID	A,H	2HRG	0.7
256	PHENYL(SULFO)ACETIC ACID	A	1O4Q	0.72
LLG	2-aminoethyl naphthalen-1-ylacetate	A	3BC4	0.73
FBC		A,B	2B9A	0.74
HPX	(2Z,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA- 2,4-DIENOIC ACID	A,B,C,D	2DSA	0.72
BZQ	DIPHENYLMETHANONE	A,B	1GT5	0.7
BZQ	DIPHENYLMETHANONE	A,B	1DZP	0.7
C1E	(2Z,4E)-3-chloro-2-hydroxy-6-oxo- 6-phenylhexa-2,4-dienoic acid	A	2RHT	0.7
BNA	BIS-(NAPHTHYL-1-METHYL) ACETIC ACID	I	4ER1	0.82
BNA	BIS-(NAPHTHYL-1-METHYL) ACETIC ACID	A	1FQ5	0.82
NIU	6,7,8,9-TETRAHYDRO-4-HYDROXY-3- (1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN- 2-ONE	A	6UPJ	0.73
CLT	4-PHENYL-BUTANOIC ACID	A	1THL	0.81
CLT	4-PHENYL-BUTANOIC ACID	A,B	2AY7	0.81
CLT	4-PHENYL-BUTANOIC ACID	E,I	1TMN	0.81
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K5S	0.79
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1KEC	0.79
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K7D	0.79
BEY	(2S)-3-[(R)-[(1S)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]- 2-benzylpropanoic acid	A	3EBI	0.72
HPZ	(2E,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA- 2,4-DIENOIC ACID	A	2PUJ	0.72