MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00777957

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
CPM	S-(2-CARBOXY-3-PHENYLPROPYL)THIODIIMINE- S-METHANE	A	1CPS	0.72
24I	(2S)-2-{[HYDROXY(4-IODOBENZYL)PHOSPHORYL]METHYL}PENTANEDIOIC ACID	A	2C6C	0.7
BNA	BIS-(NAPHTHYL-1-METHYL) ACETIC ACID	I	4ER1	0.78
BNA	BIS-(NAPHTHYL-1-METHYL) ACETIC ACID	A	1FQ5	0.78
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
DFA	DIPHENYLACETIC ACID	A,B,C	1GMY	0.83
791	2-PHENYLMALONIC ACID	A	1O4P	0.78
HSI	(3R)-3-{4-[(4-CHLOROPHENYL)ETHYNYL]BENZOYL}NONANOIC ACID	A	2Z2D	0.71
KPV	5-PHENYL-2-KETO-VALERIC ACID	A,B	2Q5Q	0.77
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MRA	0.7
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MNS	0.7
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1DTN	0.7
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MDR	0.7
BZS	L-BENZYLSUCCINIC ACID	A	1CBX	0.87
BZS	L-BENZYLSUCCINIC ACID	A	1HYT	0.87
BZS	L-BENZYLSUCCINIC ACID	A,B	1WHT	0.87
IBP	IBUPROFEN	A	3FKX	0.78
IBP	IBUPROFEN	A,B	2BXG	0.78
IBP	IBUPROFEN	A,B	1EQG	0.78
IBP	IBUPROFEN	A,B,C	2WD9	0.78
IBP	IBUPROFEN	A	2PWS	0.78
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
PMA	PYROMELLITIC ACID	A,B	1FUP	0.74
BTP	2-THIOMETHYL-3-PHENYLPROPANOIC ACID	A,B	1JAO	0.77
BFL		A,B	1Q4G	0.82
UIN	5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY- 3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN- 2-ONE	B	5UPJ	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	0.72
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.81
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
OX1		H,Y	1LO2	0.74
DPH	DEAMINO-METHYL-PHENYLALANINE	A	1OS0	0.81
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJI	0.81
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJJ	0.81
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2VS2	0.81
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	1OD1	0.81
DPH	DEAMINO-METHYL-PHENYLALANINE	E	1EPR	0.81
PPY	3-PHENYLPYRUVIC ACID	A,B	2Q5O	0.76
PPY	3-PHENYLPYRUVIC ACID	A,B	1LCO	0.76
PPY	3-PHENYLPYRUVIC ACID	A,B,C,D,E,F	2ZF4	0.76
PPY	3-PHENYLPYRUVIC ACID	A,B	1BW9	0.76
ELI	6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN- 2-YL)HEXANOIC ACID	A,B	2GH5	0.75
M5P	(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACID	A,B	2YZ3	0.76
NIU	6,7,8,9-TETRAHYDRO-4-HYDROXY-3- (1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN- 2-ONE	A	6UPJ	0.72
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
FBC		A,B	2B9A	0.72
NDD	2,6-DICARBOXYNAPHTHALENE	A	1U4O	0.72
NDD	2,6-DICARBOXYNAPHTHALENE	A,B,C,D	1HAC	0.72
PPT	3-(P-TOLYL)PROPIONIC ACID	A,B	2AY4	0.79
FL2	FLURBIPROFEN METHYL ESTER	A,B	1HT5	0.76
156	4-[3-OXO-3-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTHALEN-2- YL)-PROPENYL]-BENZOIC ACID	A	1FCZ	0.71
23N	(2R)-2-benzyl-3-nitropropanoic acid	A	2RFH	0.71
AN1	3-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACID	H,Y	1LO3	0.77
BIP	2-BENZYL-3-IODOPROPANOIC ACID	A,B,C,D	1BAV	0.79
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	0.71
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	A,B	1C1X	0.71
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	0.71
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	0.71
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1QRP	0.71
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	A	2CTC	0.71
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1E82	0.71
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1E81	0.71
NLA	NAPHTHALEN-1-YL-ACETIC ACID	A,B,C,D	1LRH	0.78
NLA	NAPHTHALEN-1-YL-ACETIC ACID	B	2P1O	0.78
NHL	(4S)-4-(2-NAPHTHYLMETHYL)-D-GLUTAMIC ACID	A	2OHV	0.72
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
TMM	1,3,5-BENZENETRICARBOXYLIC ACID	A,B,C,D	1SDL	0.71
TMM	1,3,5-BENZENETRICARBOXYLIC ACID	A,B,C,D	1SDK	0.71
256	PHENYL(SULFO)ACETIC ACID	A	1O4Q	0.7
4FC		A	1YSG	0.73
PHT	PHTHALIC ACID	A,B,C	2B7P	0.73
PHT	PHTHALIC ACID	A	3C2V	0.73
PHT	PHTHALIC ACID	A,B,C,D,E,F	1QPR	0.73
PHT	PHTHALIC ACID	A,B	3C2R	0.73
26C		A,B	2F7I	0.72
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
TRZ	TRAZEOLIDE	A	1C12	0.75
CIN	4-CARBOXYCINNAMIC ACID	A,B,C,D	1HAB	0.7
CIN	4-CARBOXYCINNAMIC ACID	A,B	1T6J	0.7
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
PAC	2-PHENYLACETIC ACID	B	1PNL	0.77
PAC	2-PHENYLACETIC ACID	B	1K5Q	0.77
PAC	2-PHENYLACETIC ACID	B	1FXH	0.77
PAC	2-PHENYLACETIC ACID	A	2ISF	0.77
PAC	2-PHENYLACETIC ACID	A	2INE	0.77