MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02391399

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
BP4	BIPHENYL-4-YL-ACETALDEHYDE	A,B,E,F,G,H	1MHW	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
OHP	(2-HYDROXYPHENYL)ACETIC ACID	A	2INZ	0.71
OSB	2-SUCCINYLBENZOATE	A	1FHV	0.76
OSB	2-SUCCINYLBENZOATE	A,B,C,D	1SJB	0.76
OSB	2-SUCCINYLBENZOATE	A,B	2QVH	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	0.72
4PH	4-methyl-L-phenylalanine	B,C	3BV9	0.7
B08		A,B	2E99	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	0.73
CLT	4-PHENYL-BUTANOIC ACID	A	1THL	0.84
CLT	4-PHENYL-BUTANOIC ACID	A,B	2AY7	0.84
CLT	4-PHENYL-BUTANOIC ACID	E,I	1TMN	0.84
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
M28	3-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACID	A,B	2NN1	0.72
M28	3-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACID	A	2NNO	0.72
PMA	PYROMELLITIC ACID	A,B	1FUP	0.72
NIU	6,7,8,9-TETRAHYDRO-4-HYDROXY-3- (1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN- 2-ONE	A	6UPJ	0.76
TRZ	TRAZEOLIDE	A	1C12	0.76
DPN	D-PHENYLALANINE	P	1MCS	0.7
DPN	D-PHENYLALANINE	A	1GOE	0.7
DPN	D-PHENYLALANINE	A	2RM9	0.7
DPN	D-PHENYLALANINE	A	1SOC	0.7
DPN	D-PHENYLALANINE	B,C,E,F	1SFQ	0.7
DPN	D-PHENYLALANINE	I	1ABJ	0.7
DPN	D-PHENYLALANINE	P	1DWE	0.7
DPN	D-PHENYLALANINE	I,M	1HLT	0.7
DPN	D-PHENYLALANINE	A,H,L	1J9C	0.7
DPN	D-PHENYLALANINE	I,T	1TMB	0.7
DPN	D-PHENYLALANINE	A	2JRY	0.7
DPN	D-PHENYLALANINE	A	2SOC	0.7
DPN	D-PHENYLALANINE	A	2YYF	0.7
DPN	D-PHENYLALANINE	I	2HGT	0.7
DPN	D-PHENYLALANINE	A,D	2Q3I	0.7
DPN	D-PHENYLALANINE	A,P	1MCD	0.7
DPN	D-PHENYLALANINE	P	1HAO	0.7
DPN	D-PHENYLALANINE	A,B,I	1Z8J	0.7
DPN	D-PHENYLALANINE	A,B,C	2PGQ	0.7
DPN	D-PHENYLALANINE	C,D,H,I,L,M, X,Y	1DVA	0.7
DPN	D-PHENYLALANINE	P	1NRR	0.7
DPN	D-PHENYLALANINE	I	1PPB	0.7
DPN	D-PHENYLALANINE	C,D,G,H	1NU7	0.7
DPN	D-PHENYLALANINE	I	2HPP	0.7
DPN	D-PHENYLALANINE	B,C	2OD3	0.7
DPN	D-PHENYLALANINE	A	1B0Q	0.7
DPN	D-PHENYLALANINE	B,C,E,F	1NU9	0.7
DPN	D-PHENYLALANINE	A,B,I	1Z8I	0.7
DPN	D-PHENYLALANINE	H,I,J	1TMU	0.7
DPN	D-PHENYLALANINE	A,B,C,D,E,F	2DNS	0.7
DPN	D-PHENYLALANINE	A	1GO9	0.7
DPN	D-PHENYLALANINE	B,C,E,F	1A0H	0.7
DPN	D-PHENYLALANINE	P	1MCF	0.7
DPN	D-PHENYLALANINE	A	2RME	0.7
DPN	D-PHENYLALANINE	H,I	1TMT	0.7
DPN	D-PHENYLALANINE	I	1ABI	0.7
DPN	D-PHENYLALANINE	R	1NRQ	0.7
DPN	D-PHENYLALANINE	B,C,F,G	2A1D	0.7
DPN	D-PHENYLALANINE	A,B	2Q33	0.7
DPN	D-PHENYLALANINE	C,H,L	1DAN	0.7
DPN	D-PHENYLALANINE	P	1MCE	0.7
DPN	D-PHENYLALANINE	B,C,E,F	2A45	0.7
DPN	D-PHENYLALANINE	A	2RMI	0.7
DPN	D-PHENYLALANINE	A,B,I	1TQ7	0.7
DPN	D-PHENYLALANINE	A	1W7M	0.7
DPN	D-PHENYLALANINE	P	1HAP	0.7
DPN	D-PHENYLALANINE	A,B	1ORF	0.7
DPN	D-PHENYLALANINE	I	1IHS	0.7
DPN	D-PHENYLALANINE	P	1MCC	0.7
DPN	D-PHENYLALANINE	A	2RMD	0.7
DPN	D-PHENYLALANINE	A	2JQB	0.7
DPN	D-PHENYLALANINE	I	2HPQ	0.7
DPN	D-PHENYLALANINE	C,E,F	1SHH	0.7
DPN	D-PHENYLALANINE	A,I	1CVR	0.7
DPN	D-PHENYLALANINE	L,P	1AUT	0.7
DPN	D-PHENYLALANINE	P	1MCI	0.7
DPN	D-PHENYLALANINE	H,I	3F6U	0.7
DPN	D-PHENYLALANINE	A	1BFW	0.7
DPN	D-PHENYLALANINE	H,I	1HAI	0.7
DPN	D-PHENYLALANINE	B,C	2THF	0.7
DPN	D-PHENYLALANINE	I	1IHT	0.7
DPN	D-PHENYLALANINE	A,P	1MCJ	0.7
DPN	D-PHENYLALANINE	A	1TKH	0.7
DPN	D-PHENYLALANINE	C,H,L,T	2FIR	0.7
DPN	D-PHENYLALANINE	A	2FMZ	0.7
DPN	D-PHENYLALANINE	A	1YL9	0.7
DPN	D-PHENYLALANINE	I	1HUT	0.7
DPN	D-PHENYLALANINE	I	1FXY	0.7
DPN	D-PHENYLALANINE	A	1YL8	0.7
DPN	D-PHENYLALANINE	C,H,L	1QFK	0.7
DPN	D-PHENYLALANINE	P	1MCB	0.7
PHT	PHTHALIC ACID	A,B,C	2B7P	0.76
PHT	PHTHALIC ACID	A	3C2V	0.76
PHT	PHTHALIC ACID	A,B,C,D,E,F	1QPR	0.76
PHT	PHTHALIC ACID	A,B	3C2R	0.76
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
NLA	NAPHTHALEN-1-YL-ACETIC ACID	A,B,C,D	1LRH	0.82
NLA	NAPHTHALEN-1-YL-ACETIC ACID	B	2P1O	0.82
BEY	(2S)-3-[(R)-[(1S)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]- 2-benzylpropanoic acid	A	3EBI	0.76
HPE	HOMOPHENYLALANINE	A,B	1B1H	0.72
HMF	2-AMINO-4-PHENYL-BUTYRIC ACID	I,J	1AY6	0.72
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
4MA	4-METHYLBENZOIC ACID	A,H	2HRG	0.71
ODE	DIETHYL (1R,2S,3R,4S)-5,6-BIS(4- HYDROXYPHENYL)-7-OXABICYCLO[2.2.1]HEPT- 5-ENE-2,3-DICARBOXYLATE	A,B	2QH6	0.71
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.84
OST	METHYL (2Z)-3-METHOXY-2-{2-[(E)- 2-PHENYLVINYL]PHENYL}ACRYLATE	C,D,E	1SQQ	0.74
23N	(2R)-2-benzyl-3-nitropropanoic acid	A	2RFH	0.73
ALN	NAPHTHALEN-2-YL-3-ALANINE	A,B,I,J	2FIV	0.72
ALN	NAPHTHALEN-2-YL-3-ALANINE	A,B	1B0H	0.72
ALN	NAPHTHALEN-2-YL-3-ALANINE	B	1FIV	0.72
ALN	NAPHTHALEN-2-YL-3-ALANINE	A,B,I,J	3FIV	0.72
DPH	DEAMINO-METHYL-PHENYLALANINE	A	1OS0	0.84
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJI	0.84
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJJ	0.84
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2VS2	0.84
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	1OD1	0.84
DPH	DEAMINO-METHYL-PHENYLALANINE	E	1EPR	0.84
DFA	DIPHENYLACETIC ACID	A,B,C	1GMY	0.87
4CB	4-CARBOXYPHENYLBORONIC ACID	A,B	1KDW	0.71
ELI	6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN- 2-YL)HEXANOIC ACID	A,B	2GH5	0.79
BIF	(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACID	G,M,P,S	1YYL	0.75
BIF	(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACID	G,M,P,S	2I5Y	0.75
173	BENZOYL-FORMIC ACID	A,B	1SZE	0.72
AN1	3-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACID	H,Y	1LO3	0.82
BIP	2-BENZYL-3-IODOPROPANOIC ACID	A,B,C,D	1BAV	0.83
26C		A,B	2F7I	0.75
256	PHENYL(SULFO)ACETIC ACID	A	1O4Q	0.73
BTP	2-THIOMETHYL-3-PHENYLPROPANOIC ACID	A,B	1JAO	0.8
ISA	3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACID	A	1NX3	0.76
ISA	3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACID	A,B	1ALW	0.76
M5P	(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACID	A,B	2YZ3	0.81
FL2	FLURBIPROFEN METHYL ESTER	A,B	1HT5	0.79
IGL	ALPHA-AMINO-2-INDANACETIC ACID	A	1BDK	0.72
APD	3-METHYLPHENYLALANINE	A,B,C	1GMY	0.7
CIN	4-CARBOXYCINNAMIC ACID	A,B,C,D	1HAB	0.73
CIN	4-CARBOXYCINNAMIC ACID	A,B	1T6J	0.73
HCI	HYDROCINNAMIC ACID	A,B	1BXG	0.83
HCI	HYDROCINNAMIC ACID	A,B	1TOG	0.83
HCI	HYDROCINNAMIC ACID	A,B	1V2F	0.83
HCI	HYDROCINNAMIC ACID	A,B	1AHX	0.83
HCI	HYDROCINNAMIC ACID	A	1TOI	0.83
HCI	HYDROCINNAMIC ACID	A,B	1AY8	0.83
HCI	HYDROCINNAMIC ACID	A	1TOJ	0.83
OPH	2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER	E,I	1PPM	0.72
OPH	2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER	E,I	1PPL	0.72
PPY	3-PHENYLPYRUVIC ACID	A,B	2Q5O	0.79
PPY	3-PHENYLPYRUVIC ACID	A,B	1LCO	0.79
PPY	3-PHENYLPYRUVIC ACID	A,B,C,D,E,F	2ZF4	0.79
PPY	3-PHENYLPYRUVIC ACID	A,B	1BW9	0.79
IBP	IBUPROFEN	A	3FKX	0.83
IBP	IBUPROFEN	A,B	2BXG	0.83
IBP	IBUPROFEN	A,B	1EQG	0.83
IBP	IBUPROFEN	A,B,C	2WD9	0.83
IBP	IBUPROFEN	A	2PWS	0.83
791	2-PHENYLMALONIC ACID	A	1O4P	0.81
CPM	S-(2-CARBOXY-3-PHENYLPROPYL)THIODIIMINE- S-METHANE	A	1CPS	0.76
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K5S	0.83
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1KEC	0.83
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K7D	0.83
NHL	(4S)-4-(2-NAPHTHYLMETHYL)-D-GLUTAMIC ACID	A	2OHV	0.72
GW5	(2E)-3-{4-[(1E)-1,2-DIPHENYLBUT- 1-ENYL]PHENYL}ACRYLIC ACID	A,B,C	1R5K	0.7
BR4	6-PHENYL-4(R)-(7-PHENYL-HEPTANOYLAMINO)- HEXANOIC ACID	A	1KQU	0.7
UIN	5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY- 3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN- 2-ONE	B	5UPJ	0.76
BFL		A,B	1Q4G	0.85
FBC		A,B	2B9A	0.75
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
B28		A,B	2E9A	0.71
KPV	5-PHENYL-2-KETO-VALERIC ACID	A,B	2Q5Q	0.81
NDD	2,6-DICARBOXYNAPHTHALENE	A	1U4O	0.74
NDD	2,6-DICARBOXYNAPHTHALENE	A,B,C,D	1HAC	0.74
BNA	BIS-(NAPHTHYL-1-METHYL) ACETIC ACID	I	4ER1	0.83
BNA	BIS-(NAPHTHYL-1-METHYL) ACETIC ACID	A	1FQ5	0.83
BZS	L-BENZYLSUCCINIC ACID	A	1CBX	0.91
BZS	L-BENZYLSUCCINIC ACID	A	1HYT	0.91
BZS	L-BENZYLSUCCINIC ACID	A,B	1WHT	0.91
PPT	3-(P-TOLYL)PROPIONIC ACID	A,B	2AY4	0.82
4FC		A	1YSG	0.75
HSI	(3R)-3-{4-[(4-CHLOROPHENYL)ETHYNYL]BENZOYL}NONANOIC ACID	A	2Z2D	0.75
2CL	(2,6-DICHLOROPHENYL)ACETIC ACID	A	2IPW	0.7
2CL	(2,6-DICHLOROPHENYL)ACETIC ACID	A	2IS7	0.7
OX1		H,Y	1LO2	0.78