MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01771876

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
TOM	4-(2-METHOXYPHENYL)-2-OXOBUT-3- ENOIC ACID	A	2IMF	0.7
R12	9-(4-HYDROXY-2,6-DIMETHYL-PHENYL)- 3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID	A	3CBS	0.73
SMN	(S)-MANDELIC ACID	A	1MDL	0.72
TRT	FRAGMENT OF TRITON X-100	A,E	2I0U	0.72
TRT	FRAGMENT OF TRITON X-100	A,B	1OIZ	0.72
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	0.74
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	0.74
OPH	2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER	E,I	1PPM	0.71
OPH	2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER	E,I	1PPL	0.71
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K5S	0.74
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1KEC	0.74
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K7D	0.74
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MRA	0.74
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MNS	0.74
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1DTN	0.74
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MDR	0.74
DPH	DEAMINO-METHYL-PHENYLALANINE	A	1OS0	0.72
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJI	0.72
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJJ	0.72
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2VS2	0.72
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	1OD1	0.72
DPH	DEAMINO-METHYL-PHENYLALANINE	E	1EPR	0.72
IBP	IBUPROFEN	A	3FKX	0.74
IBP	IBUPROFEN	A,B	2BXG	0.74
IBP	IBUPROFEN	A,B	1EQG	0.74
IBP	IBUPROFEN	A,B,C	2WD9	0.74
IBP	IBUPROFEN	A	2PWS	0.74
4FC		A	1YSG	0.71
UIN	5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY- 3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN- 2-ONE	B	5UPJ	0.7
SS1	1-PHENYLETHANOL	H	1UM5	0.74
HCI	HYDROCINNAMIC ACID	A,B	1BXG	0.7
HCI	HYDROCINNAMIC ACID	A,B	1TOG	0.7
HCI	HYDROCINNAMIC ACID	A,B	1V2F	0.7
HCI	HYDROCINNAMIC ACID	A,B	1AHX	0.7
HCI	HYDROCINNAMIC ACID	A	1TOI	0.7
HCI	HYDROCINNAMIC ACID	A,B	1AY8	0.7
HCI	HYDROCINNAMIC ACID	A	1TOJ	0.7
FL2	FLURBIPROFEN METHYL ESTER	A,B	1HT5	0.74
ARL	7-(3,5-DITERT-BUTYLPHENYL)-3-METHYLOCTA- 2,4,6-TRIENOIC ACID	A	1NQ7	0.71
PHQ	FORMIC ACID BENZYL ESTER	A,I	2F4O	0.85
PHQ	FORMIC ACID BENZYL ESTER	A	1KJO	0.85
PHQ	FORMIC ACID BENZYL ESTER	I	2CDR	0.85
PHQ	FORMIC ACID BENZYL ESTER	I	2C1E	0.85
PHQ	FORMIC ACID BENZYL ESTER	I	5PAD	0.85
PHQ	FORMIC ACID BENZYL ESTER	E,F	1JXQ	0.85
PHQ	FORMIC ACID BENZYL ESTER	A	2CNO	0.85
PHQ	FORMIC ACID BENZYL ESTER	A,B	1CGL	0.85
PHQ	FORMIC ACID BENZYL ESTER	I	2AZ9	0.85
PHQ	FORMIC ACID BENZYL ESTER	I	2C2K	0.85
PHQ	FORMIC ACID BENZYL ESTER	A,I	2CNL	0.85
PHQ	FORMIC ACID BENZYL ESTER	A	1KJP	0.85
PHQ	FORMIC ACID BENZYL ESTER	I	2C2M	0.85
PHQ	FORMIC ACID BENZYL ESTER	I	2AZB	0.85
PHQ	FORMIC ACID BENZYL ESTER	A	9HVP	0.85
PHQ	FORMIC ACID BENZYL ESTER	A	1ESB	0.85
PHQ	FORMIC ACID BENZYL ESTER	E,F	1DY8	0.85
PHQ	FORMIC ACID BENZYL ESTER	E,I	1PPM	0.85
PHQ	FORMIC ACID BENZYL ESTER	I	1GEC	0.85
PHQ	FORMIC ACID BENZYL ESTER	A	1KS7	0.85
PHQ	FORMIC ACID BENZYL ESTER	C	1A8G	0.85
PHQ	FORMIC ACID BENZYL ESTER	A	1KKK	0.85
PHQ	FORMIC ACID BENZYL ESTER	T,U,V,W,X,Y	1QDU	0.85
PHQ	FORMIC ACID BENZYL ESTER	E,I	4TMN	0.85
PHQ	FORMIC ACID BENZYL ESTER	E,I	5TMN	0.85
PHQ	FORMIC ACID BENZYL ESTER	A	1KTO	0.85
PHQ	FORMIC ACID BENZYL ESTER	A,C	1TG1	0.85
PHQ	FORMIC ACID BENZYL ESTER	I	2AZ8	0.85
PHQ	FORMIC ACID BENZYL ESTER	A,B	2G58	0.85
PHQ	FORMIC ACID BENZYL ESTER	Q,R,S,T,U,V	1F9E	0.85
PHQ	FORMIC ACID BENZYL ESTER	I	2CJY	0.85
PHQ	FORMIC ACID BENZYL ESTER	A,I	1E8M	0.85
PHQ	FORMIC ACID BENZYL ESTER	A	1KR6	0.85
PHQ	FORMIC ACID BENZYL ESTER	E,I	6TMN	0.85
PHQ	FORMIC ACID BENZYL ESTER	A	1KRO	0.85
PHQ	FORMIC ACID BENZYL ESTER	I	2CNN	0.85
PHQ	FORMIC ACID BENZYL ESTER	I	2C2O	0.85
PHQ	FORMIC ACID BENZYL ESTER	A,B	1SQZ	0.85
PHQ	FORMIC ACID BENZYL ESTER	A,B	1THE	0.85
PHQ	FORMIC ACID BENZYL ESTER	I,J	2AZC	0.85
PHQ	FORMIC ACID BENZYL ESTER	E,I	5EST	0.85
PHQ	FORMIC ACID BENZYL ESTER	I	2CNK	0.85
PHQ	FORMIC ACID BENZYL ESTER	A	1KL6	0.85
PHQ	FORMIC ACID BENZYL ESTER	I	6PAD	0.85
PHQ	FORMIC ACID BENZYL ESTER	B,I	2C2Z	0.85
PPT	3-(P-TOLYL)PROPIONIC ACID	A,B	2AY4	0.73
NDH	(1R, 2S)-CIS 1,2 DIHYDROXY-1,2- DIHYDRONAPHTHALENE	A,B	1O7P	0.72
PYY	D-RIBOFURANOSYL-BENZENE-5'-MONOPHOSPHATE	A	1G2J	0.7
TON	2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOL	A,B	1SEZ	0.7
DFA	DIPHENYLACETIC ACID	A,B,C	1GMY	0.71
2PM	N-[2-(BENZHYDRYLOXY)ETHYL]-N,N- DIMETHYLAMINE	A,B	2AOT	0.72
PEL	2-PHENYL-ETHANOL	A,B	1I0D	0.71
PEL	2-PHENYL-ETHANOL	D,H	2I0T	0.71
PEL	2-PHENYL-ETHANOL	A,B	1HZY	0.71
PEL	2-PHENYL-ETHANOL	A,B	1I0B	0.71
PEL	2-PHENYL-ETHANOL	A	1EYW	0.71
PEL	2-PHENYL-ETHANOL	A,B	1JGM	0.71
FOS	[[N-(BENZYLOXYCARBONYL)AMINO]METHYL]PHOSPHATE	A	1BLH	0.7
FOS	[[N-(BENZYLOXYCARBONYL)AMINO]METHYL]PHOSPHATE	A	1AXB	0.7
BZM	BENZOIC ACID PHENYLMETHYLESTER	A,B	1DZM	0.78
ZZ1	4-METHYL-2H-CHROMEN-2-ONE	A	2CIP	0.72
4MA	4-METHYLBENZOIC ACID	A,H	2HRG	0.73
NOA	NAPHTHYLOXYACETIC ACID	A,B,I	1HIV	0.7
NOA	NAPHTHYLOXYACETIC ACID	I	1IVP	0.7
BGG	CARBONIC ACID MONOBENZYL ESTER	B,D	1DLK	0.83
OST	METHYL (2Z)-3-METHOXY-2-{2-[(E)- 2-PHENYLVINYL]PHENYL}ACRYLATE	C,D,E	1SQQ	0.76
SEM	3-AMINO-4-OXYBENZYL-2-BUTANONE	A,B	1THE	0.72
2NA	naphthalen-2-ylmethanol	A,B,C	3EE5	0.76
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.71
FBC		A,B	2B9A	0.7
FLP	FLURBIPROFEN	A,B,C,D	3PGH	0.71
FLP	FLURBIPROFEN	A,B	1CQE	0.71
FLP	FLURBIPROFEN	A,B	1EQH	0.71
FLP	FLURBIPROFEN	A,B	2AYL	0.71
FLP	FLURBIPROFEN	A	1DVT	0.71
FLP	FLURBIPROFEN	A	1R9O	0.71
NIU	6,7,8,9-TETRAHYDRO-4-HYDROXY-3- (1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN- 2-ONE	A	6UPJ	0.7
RSO	R-STYRENE OXIDE	A,B	1PWZ	0.8
959	benzyl (2-oxopropyl)carbamate	A	3D62	0.72
NDD	2,6-DICARBOXYNAPHTHALENE	A	1U4O	0.72
NDD	2,6-DICARBOXYNAPHTHALENE	A,B,C,D	1HAC	0.72
LLG	2-aminoethyl naphthalen-1-ylacetate	A	3BC4	0.7
R13	3-METHYL-7-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTHALEN-2- YL) -OCTA-2,4,6-TRIENOIC ACID	A	2CBS	0.71
OSB	2-SUCCINYLBENZOATE	A	1FHV	0.72
OSB	2-SUCCINYLBENZOATE	A,B,C,D	1SJB	0.72
OSB	2-SUCCINYLBENZOATE	A,B	2QVH	0.72
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	0.75
CIN	4-CARBOXYCINNAMIC ACID	A,B,C,D	1HAB	0.72
CIN	4-CARBOXYCINNAMIC ACID	A,B	1T6J	0.72
RMN	(R)-MANDELIC ACID	A	1MDL	0.72
RMN	(R)-MANDELIC ACID	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P	1MCZ	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	0.71
BFL		A,B	1Q4G	0.73
26C		A,B	2F7I	0.7
NPS	(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid	A	2VDB	0.72
DIC	3,4-DICHLOROISOCOUMARIN	A	1DIC	0.71
SS2	(1R)-1-PHENYLETHANOL	A	1ZK0	0.74
SS2	(1R)-1-PHENYLETHANOL	A	1ZJZ	0.74
SS2	(1R)-1-PHENYLETHANOL	A	1ZJY	0.74
12M	(2-ETHYLPHENYL)METHANOL	A,B	2F62	0.78
CLT	4-PHENYL-BUTANOIC ACID	A	1THL	0.71
CLT	4-PHENYL-BUTANOIC ACID	A,B	2AY7	0.71
CLT	4-PHENYL-BUTANOIC ACID	E,I	1TMN	0.71
OBZ	O-benzylhydroxylamine	A,B	3DTH	0.74
OBZ	O-benzylhydroxylamine	A,B	3DTG	0.74
DBA	(2,6-DIMETHYL-PHENOXY)-ACETIC ACID	A,B	1IDB	0.75
NLA	NAPHTHALEN-1-YL-ACETIC ACID	A,B,C,D	1LRH	0.72
NLA	NAPHTHALEN-1-YL-ACETIC ACID	B	2P1O	0.72
PAC	2-PHENYLACETIC ACID	B	1PNL	0.72
PAC	2-PHENYLACETIC ACID	B	1K5Q	0.72
PAC	2-PHENYLACETIC ACID	B	1FXH	0.72
PAC	2-PHENYLACETIC ACID	A	2ISF	0.72
PAC	2-PHENYLACETIC ACID	A	2INE	0.72