MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02215216

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
OSB	2-SUCCINYLBENZOATE	A	1FHV	0.71
OSB	2-SUCCINYLBENZOATE	A,B,C,D	1SJB	0.71
OSB	2-SUCCINYLBENZOATE	A,B	2QVH	0.71
ANQ	ACENAPHTHENEQUINONE	H,J	1OAX	0.71
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MRA	0.73
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MNS	0.73
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1DTN	0.73
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MDR	0.73
BP4	BIPHENYL-4-YL-ACETALDEHYDE	A,B,E,F,G,H	1MHW	0.76
HCI	HYDROCINNAMIC ACID	A,B	1BXG	0.75
HCI	HYDROCINNAMIC ACID	A,B	1TOG	0.75
HCI	HYDROCINNAMIC ACID	A,B	1V2F	0.75
HCI	HYDROCINNAMIC ACID	A,B	1AHX	0.75
HCI	HYDROCINNAMIC ACID	A	1TOI	0.75
HCI	HYDROCINNAMIC ACID	A,B	1AY8	0.75
HCI	HYDROCINNAMIC ACID	A	1TOJ	0.75
DFA	DIPHENYLACETIC ACID	A,B,C	1GMY	0.82
PPT	3-(P-TOLYL)PROPIONIC ACID	A,B	2AY4	0.78
BIK	3,7-DIHYDROXY-2-NAPHTHOIC ACID	A	1U5A	0.71
BIK	3,7-DIHYDROXY-2-NAPHTHOIC ACID	A	1U5C	0.71
ALN	NAPHTHALEN-2-YL-3-ALANINE	A,B,I,J	2FIV	0.75
ALN	NAPHTHALEN-2-YL-3-ALANINE	A,B	1B0H	0.75
ALN	NAPHTHALEN-2-YL-3-ALANINE	B	1FIV	0.75
ALN	NAPHTHALEN-2-YL-3-ALANINE	A,B,I,J	3FIV	0.75
254	6-[HYDROXYIMINO-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTALEN-2- YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID	A	1FD0	0.7
KPV	5-PHENYL-2-KETO-VALERIC ACID	A,B	2Q5Q	0.73
LLG	2-aminoethyl naphthalen-1-ylacetate	A	3BC4	0.87
184	6-[HYDROXY-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTALEN-2- YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID	A	1FCX	0.77
CP5	(2Z)-3-{[OXIDO(OXO)PHOSPHINO]OXY}- 2-PHENYLACRYLATE	A	1SCW	0.73
BIP	2-BENZYL-3-IODOPROPANOIC ACID	A,B,C,D	1BAV	0.73
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	0.74
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	A,B	1C1X	0.74
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	0.74
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	0.74
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1QRP	0.74
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	A	2CTC	0.74
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1E82	0.74
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1E81	0.74
FL2	FLURBIPROFEN METHYL ESTER	A,B	1HT5	0.86
173	BENZOYL-FORMIC ACID	A,B	1SZE	0.7
BZM	BENZOIC ACID PHENYLMETHYLESTER	A,B	1DZM	0.77
PPY	3-PHENYLPYRUVIC ACID	A,B	2Q5O	0.73
PPY	3-PHENYLPYRUVIC ACID	A,B	1LCO	0.73
PPY	3-PHENYLPYRUVIC ACID	A,B,C,D,E,F	2ZF4	0.73
PPY	3-PHENYLPYRUVIC ACID	A,B	1BW9	0.73
973	(5Z)-3-(4-CHLOROPHENYL)-4-HYDROXY- 5-(1-NAPHTHYLMETHYLENE)FURAN-2(5H)- ONE	A	2Q85	0.71
NDD	2,6-DICARBOXYNAPHTHALENE	A	1U4O	0.82
NDD	2,6-DICARBOXYNAPHTHALENE	A,B,C,D	1HAC	0.82
791	2-PHENYLMALONIC ACID	A	1O4P	0.75
L79	(S)-(2E)-3[4-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-2-NAPHTHALENYL)TETRAHYDRO- 1-BENZOFURAN-2-YL]-2-PROPENOIC ACID	A,D	1RDT	0.71
RMN	(R)-MANDELIC ACID	A	1MDL	0.71
RMN	(R)-MANDELIC ACID	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P	1MCZ	0.71
CIN	4-CARBOXYCINNAMIC ACID	A,B,C,D	1HAB	0.71
CIN	4-CARBOXYCINNAMIC ACID	A,B	1T6J	0.71
TTB	4-[(1E)-2-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRONAPHTHALEN-2- YL)PROP-1-ENYL]BENZOIC ACID	A	1XAP	0.77
PIC	6-(DIFLUORO-PHOSPHONO-METHYL)-NAPHTHALENE- 2-CARBOXYLIC ACID	A	1BZJ	0.75
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
NAL	BETA-(2-NAPHTHYL)-ALANINE	A,B	2ITK	0.75
NAL	BETA-(2-NAPHTHYL)-ALANINE	H,I	4THN	0.75
NAL	BETA-(2-NAPHTHYL)-ALANINE	A,B	2Q5A	0.75
NAL	BETA-(2-NAPHTHYL)-ALANINE	A	1ZWU	0.75
NAL	BETA-(2-NAPHTHYL)-ALANINE	A	1SKL	0.75
NAL	BETA-(2-NAPHTHYL)-ALANINE	H,I	5GDS	0.75
NAL	BETA-(2-NAPHTHYL)-ALANINE	A	1ZH0	0.75
NAL	BETA-(2-NAPHTHYL)-ALANINE	A,B	2JT9	0.75
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K5S	0.8
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1KEC	0.8
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K7D	0.8
DPH	DEAMINO-METHYL-PHENYLALANINE	A	1OS0	0.76
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJI	0.76
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJJ	0.76
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2VS2	0.76
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	1OD1	0.76
DPH	DEAMINO-METHYL-PHENYLALANINE	E	1EPR	0.76
BNA	BIS-(NAPHTHYL-1-METHYL) ACETIC ACID	I	4ER1	0.81
BNA	BIS-(NAPHTHYL-1-METHYL) ACETIC ACID	A	1FQ5	0.81
2NA	naphthalen-2-ylmethanol	A,B,C	3EE5	0.76
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.76
BZS	L-BENZYLSUCCINIC ACID	A	1CBX	0.73
BZS	L-BENZYLSUCCINIC ACID	A	1HYT	0.73
BZS	L-BENZYLSUCCINIC ACID	A,B	1WHT	0.73
1LP	TRANYLCYPROMINE	A,B	1OJB	0.72
564	6-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTALENE-2-CARBONYL)- NAPHTALENE-2-CARBOXYLIC ACID	A	1FCY	0.76
9TA	1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)- ETHYLAMINO]-ANTHRAQUINONE	A,B	1FDG	0.71
OX1		H,Y	1LO2	0.73
SMN	(S)-MANDELIC ACID	A	1MDL	0.71
156	4-[3-OXO-3-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTHALEN-2- YL)-PROPENYL]-BENZOIC ACID	A	1FCZ	0.76
26C		A,B	2F7I	0.74
PAC	2-PHENYLACETIC ACID	B	1PNL	0.78
PAC	2-PHENYLACETIC ACID	B	1K5Q	0.78
PAC	2-PHENYLACETIC ACID	B	1FXH	0.78
PAC	2-PHENYLACETIC ACID	A	2ISF	0.78
PAC	2-PHENYLACETIC ACID	A	2INE	0.78
M29	ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATE	A	2NNV	0.7
M29	ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATE	A,B	2NN7	0.7
TBC	(9S,10R)-9-HYDROXY-7,8,9,10-TETRAHYDROBENZO[A]PYRENE	A	1N8C	0.72
FLP	FLURBIPROFEN	A,B,C,D	3PGH	0.82
FLP	FLURBIPROFEN	A,B	1CQE	0.82
FLP	FLURBIPROFEN	A,B	1EQH	0.82
FLP	FLURBIPROFEN	A,B	2AYL	0.82
FLP	FLURBIPROFEN	A	1DVT	0.82
FLP	FLURBIPROFEN	A	1R9O	0.82
BTP	2-THIOMETHYL-3-PHENYLPROPANOIC ACID	A,B	1JAO	0.71
NPS	(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid	A	2VDB	0.77
OPH	2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER	E,I	1PPM	0.75
OPH	2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER	E,I	1PPL	0.75
AN1	3-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACID	H,Y	1LO3	0.85
ELI	6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN- 2-YL)HEXANOIC ACID	A,B	2GH5	0.72
NLA	NAPHTHALEN-1-YL-ACETIC ACID	A,B,C,D	1LRH	0.91
NLA	NAPHTHALEN-1-YL-ACETIC ACID	B	2P1O	0.91
FBC		A,B	2B9A	0.74
OST	METHYL (2Z)-3-METHOXY-2-{2-[(E)- 2-PHENYLVINYL]PHENYL}ACRYLATE	C,D,E	1SQQ	0.82
BFL		A,B	1Q4G	0.84
4MA	4-METHYLBENZOIC ACID	A,H	2HRG	0.72
CLT	4-PHENYL-BUTANOIC ACID	A	1THL	0.76
CLT	4-PHENYL-BUTANOIC ACID	A,B	2AY7	0.76
CLT	4-PHENYL-BUTANOIC ACID	E,I	1TMN	0.76
BM6	4-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN- 2-YL]-BENZOIC ACID	A	1MVC	0.76
BM6	4-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN- 2-YL]-BENZOIC ACID	A,C,E,G	1MZN	0.76
4FC		A	1YSG	0.75