MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00363032

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
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	0.73
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	A,B	1C1X	0.73
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	0.73
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	0.73
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1QRP	0.73
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	A	2CTC	0.73
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1E82	0.73
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1E81	0.73
M5P	(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACID	A,B	2YZ3	0.78
PPY	3-PHENYLPYRUVIC ACID	A,B	2Q5O	0.78
PPY	3-PHENYLPYRUVIC ACID	A,B	1LCO	0.78
PPY	3-PHENYLPYRUVIC ACID	A,B,C,D,E,F	2ZF4	0.78
PPY	3-PHENYLPYRUVIC ACID	A,B	1BW9	0.78
PAC	2-PHENYLACETIC ACID	B	1PNL	0.8
PAC	2-PHENYLACETIC ACID	B	1K5Q	0.8
PAC	2-PHENYLACETIC ACID	B	1FXH	0.8
PAC	2-PHENYLACETIC ACID	A	2ISF	0.8
PAC	2-PHENYLACETIC ACID	A	2INE	0.8
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
ESO	O3-PHOSPHONOESTRONE	B,C	1ESS	0.71
EQI	EQUILIN	A,B	1EQU	0.74
NLA	NAPHTHALEN-1-YL-ACETIC ACID	A,B,C,D	1LRH	0.83
NLA	NAPHTHALEN-1-YL-ACETIC ACID	B	2P1O	0.83
UIN	5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY- 3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN- 2-ONE	B	5UPJ	0.74
BZS	L-BENZYLSUCCINIC ACID	A	1CBX	0.82
BZS	L-BENZYLSUCCINIC ACID	A	1HYT	0.82
BZS	L-BENZYLSUCCINIC ACID	A,B	1WHT	0.82
FBR	(9aS)-4-bromo-9a-butyl-7-hydroxy- 1,2,9,9a-tetrahydro-3H-fluoren- 3-one	A	2GIU	0.7
HE7	4-{[(14beta,17alpha)-3-hydroxyestra- 1,3,5(10)-trien-17-yl]oxy}-4-oxobutanoic acid	A,B,C,D	2Z77	0.7
CPM	S-(2-CARBOXY-3-PHENYLPROPYL)THIODIIMINE- S-METHANE	A	1CPS	0.74
ISA	3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACID	A	1NX3	0.75
ISA	3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACID	A,B	1ALW	0.75
TRZ	TRAZEOLIDE	A	1C12	0.82
BIF	(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACID	G,M,P,S	1YYL	0.74
BIF	(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACID	G,M,P,S	2I5Y	0.74
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
ARL	7-(3,5-DITERT-BUTYLPHENYL)-3-METHYLOCTA- 2,4,6-TRIENOIC ACID	A	1NQ7	0.71
EQU	EQUILENIN	A,B	1OGX	0.72
EQU	EQUILENIN	A,B,C,D,E,F	1QJG	0.72
EQU	EQUILENIN	A,B	1OH0	0.72
EQU	EQUILENIN	A	1W6Y	0.72
EQU	EQUILENIN	A,B	1CQS	0.72
EQU	EQUILENIN	A	1OGZ	0.72
EQU	EQUILENIN	A	1GS3	0.72
EQU	EQUILENIN	A	1OHO	0.72
OST	METHYL (2Z)-3-METHOXY-2-{2-[(E)- 2-PHENYLVINYL]PHENYL}ACRYLATE	C,D,E	1SQQ	0.75
B28		A,B	2E9A	0.7
AN1	3-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACID	H,Y	1LO3	0.83
BTP	2-THIOMETHYL-3-PHENYLPROPANOIC ACID	A,B	1JAO	0.77
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MRA	0.72
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MNS	0.72
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1DTN	0.72
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MDR	0.72
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	0.73
BFL		A,B	1Q4G	0.82
564	6-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTALENE-2-CARBONYL)- NAPHTALENE-2-CARBOXYLIC ACID	A	1FCY	0.73
SDT	3,4-dihydroxy-9,10-secoandrosta- 1(10),2,4-triene-9,17-dione	A,B	2ZI8	0.72
OX1		H,Y	1LO2	0.76
ELI	6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN- 2-YL)HEXANOIC ACID	A,B	2GH5	0.79
NHL	(4S)-4-(2-NAPHTHYLMETHYL)-D-GLUTAMIC ACID	A	2OHV	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
173	BENZOYL-FORMIC ACID	A,B	1SZE	0.72
791	2-PHENYLMALONIC ACID	A	1O4P	0.79
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
184	6-[HYDROXY-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTALEN-2- YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID	A	1FCX	0.71
PHT	PHTHALIC ACID	A,B,C	2B7P	0.72
PHT	PHTHALIC ACID	A	3C2V	0.72
PHT	PHTHALIC ACID	A,B,C,D,E,F	1QPR	0.72
PHT	PHTHALIC ACID	A,B	3C2R	0.72
CLT	4-PHENYL-BUTANOIC ACID	A	1THL	0.83
CLT	4-PHENYL-BUTANOIC ACID	A,B	2AY7	0.83
CLT	4-PHENYL-BUTANOIC ACID	E,I	1TMN	0.83
DFA	DIPHENYLACETIC ACID	A,B,C	1GMY	0.84
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
IGL	ALPHA-AMINO-2-INDANACETIC ACID	A	1BDK	0.77
KPV	5-PHENYL-2-KETO-VALERIC ACID	A,B	2Q5Q	0.8
M28	3-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACID	A,B	2NN1	0.71
M28	3-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACID	A	2NNO	0.71
B08		A,B	2E99	0.71
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	0.76
BIP	2-BENZYL-3-IODOPROPANOIC ACID	A,B,C,D	1BAV	0.8
HCI	HYDROCINNAMIC ACID	A,B	1BXG	0.82
HCI	HYDROCINNAMIC ACID	A,B	1TOG	0.82
HCI	HYDROCINNAMIC ACID	A,B	1V2F	0.82
HCI	HYDROCINNAMIC ACID	A,B	1AHX	0.82
HCI	HYDROCINNAMIC ACID	A	1TOI	0.82
HCI	HYDROCINNAMIC ACID	A,B	1AY8	0.82
HCI	HYDROCINNAMIC ACID	A	1TOJ	0.82
26C		A,B	2F7I	0.74
23N	(2R)-2-benzyl-3-nitropropanoic acid	A	2RFH	0.71
BEY	(2S)-3-[(R)-[(1S)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]- 2-benzylpropanoic acid	A	3EBI	0.74
CIN	4-CARBOXYCINNAMIC ACID	A,B,C,D	1HAB	0.72
CIN	4-CARBOXYCINNAMIC ACID	A,B	1T6J	0.72
4MA	4-METHYLBENZOIC ACID	A,H	2HRG	0.7
MUF	(8alpha,10alpha,13alpha,17beta)- 17-[(4-hydroxyphenyl)carbonyl]androsta- 3,5-diene-3-carboxylic acid	A,B	3BEJ	0.7
NDD	2,6-DICARBOXYNAPHTHALENE	A	1U4O	0.75
NDD	2,6-DICARBOXYNAPHTHALENE	A,B,C,D	1HAC	0.75
NIU	6,7,8,9-TETRAHYDRO-4-HYDROXY-3- (1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN- 2-ONE	A	6UPJ	0.74
256	PHENYL(SULFO)ACETIC ACID	A	1O4Q	0.72
FBC		A,B	2B9A	0.74
DPH	DEAMINO-METHYL-PHENYLALANINE	A	1OS0	0.82
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJI	0.82
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJJ	0.82
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2VS2	0.82
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	1OD1	0.82
DPH	DEAMINO-METHYL-PHENYLALANINE	E	1EPR	0.82
HMF	2-AMINO-4-PHENYL-BUTYRIC ACID	I,J	1AY6	0.71
BNA	BIS-(NAPHTHYL-1-METHYL) ACETIC ACID	I	4ER1	0.82
BNA	BIS-(NAPHTHYL-1-METHYL) ACETIC ACID	A	1FQ5	0.82
FLP	FLURBIPROFEN	A,B,C,D	3PGH	0.8
FLP	FLURBIPROFEN	A,B	1CQE	0.8
FLP	FLURBIPROFEN	A,B	1EQH	0.8
FLP	FLURBIPROFEN	A,B	2AYL	0.8
FLP	FLURBIPROFEN	A	1DVT	0.8
FLP	FLURBIPROFEN	A	1R9O	0.8
PPT	3-(P-TOLYL)PROPIONIC ACID	A,B	2AY4	0.82
4FC		A	1YSG	0.75
OSB	2-SUCCINYLBENZOATE	A	1FHV	0.74
OSB	2-SUCCINYLBENZOATE	A,B,C,D	1SJB	0.74
OSB	2-SUCCINYLBENZOATE	A,B	2QVH	0.74
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.83
HPE	HOMOPHENYLALANINE	A,B	1B1H	0.71