MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02247926

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
23N	(2R)-2-benzyl-3-nitropropanoic acid	A	2RFH	0.72
1ZN	(2S,3S,4E,6E,8S,9S)-3-amino-9-methoxy- 2,6,8-trimethyl-10-phenyldeca-4,6- dienoic acid	C,F,M,N	2IAE	0.78
HPE	HOMOPHENYLALANINE	A,B	1B1H	0.74
ZFB	(3R)-3-{[(BENZYLOXY)CARBONYL]AMINO}- 2-OXO-4-PHENYLBUTANE-1-DIAZONIUM	A,B,C,D	1PVJ	0.72
HMF	2-AMINO-4-PHENYL-BUTYRIC ACID	I,J	1AY6	0.74
SBX	1-CYCLOHEXYL-3-PHENYL-1-PROPYL- 1-(3,3-DIMETHYL-1,2-DIOXYPENTYL)- 2-PIPERIDINE CARBOXYLATE	A	1FKH	0.71
528	(2S)-2-[3-(AMINOMETHYL)PHENYL]- 3-{(R)-HYDROXY[(1R)-2-METHYL-1- {[(3-PHENYLPROPYL)SULFONYL]AMINO}PROPYL]PHOSPHORYL}PROPANOIC ACID	A,B,C	2PIY	0.7
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K5S	0.73
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1KEC	0.73
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K7D	0.73
APD	3-METHYLPHENYLALANINE	A,B,C	1GMY	0.76
CT1	(1R)-2-METHYL-1-(PHENYLMETHYL)PROPYL[(1S)- 1-FORMYLPENTYL]CARBAMATE	A	2AUX	0.73
HOP	(1S,2S,5S)2-(4-GLUTARIDYLBENZYL)- 5-PHENYL-1-CYCLOHEXANOL	H,L	1D6V	0.7
HOP	(1S,2S,5S)2-(4-GLUTARIDYLBENZYL)- 5-PHENYL-1-CYCLOHEXANOL	A,B,H,L	1AXS	0.7
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
FOG	(4S,5S)-5-amino-4-hydroxy-6-phenylhexanoic acid	I	1EED	0.74
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A,B,M,N	1FJM	0.83
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A	1EVA	0.83
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A	1LCM	0.83
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A,B,C,D,E,F, G,H	2NYM	0.83
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	C,I	2IE3	0.83
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	C,F,X,Y	2NPP	0.83
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A	1EVC	0.83
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	C,F,G,H	3DW8	0.83
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A,B,C,D,E,F, G,H	2NYL	0.83
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A	1EVD	0.83
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A	1EVB	0.83
OST	METHYL (2Z)-3-METHOXY-2-{2-[(E)- 2-PHENYLVINYL]PHENYL}ACRYLATE	C,D,E	1SQQ	0.77
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
FL2	FLURBIPROFEN METHYL ESTER	A,B	1HT5	0.78
PG9	D-PHENYLGLYCINE	A,B,G,H	10GS	0.77
PG9	D-PHENYLGLYCINE	A,B,C,D	2B4K	0.77
BJP	(1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID	A	1ERO	0.72
ZAE	N-methyl-D-phenylalanine	H,I,R	1TBZ	0.72
BEY	(2S)-3-[(R)-[(1S)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]- 2-benzylpropanoic acid	A	3EBI	0.76
PAC	2-PHENYLACETIC ACID	B	1PNL	0.71
PAC	2-PHENYLACETIC ACID	B	1K5Q	0.71
PAC	2-PHENYLACETIC ACID	B	1FXH	0.71
PAC	2-PHENYLACETIC ACID	A	2ISF	0.71
PAC	2-PHENYLACETIC ACID	A	2INE	0.71
NLA	NAPHTHALEN-1-YL-ACETIC ACID	A,B,C,D	1LRH	0.71
NLA	NAPHTHALEN-1-YL-ACETIC ACID	B	2P1O	0.71
4AF	4-ACETYL-L-PHENYLALANINE	A	1ZH6	0.73
LLG	2-aminoethyl naphthalen-1-ylacetate	A	3BC4	0.82
OIN	(1R,5S)-8-METHYL-8-AZABICYCLO[3.2.1]OCT- 3-YL (2R)-3-HYDROXY-2-PHENYLPROPANOATE	A	1TH6	0.74
OIN	(1R,5S)-8-METHYL-8-AZABICYCLO[3.2.1]OCT- 3-YL (2R)-3-HYDROXY-2-PHENYLPROPANOATE	A	2ARM	0.74
MPQ	N-METHYL-ALPHA-PHENYL-GLYCINE	D	1D6E	0.73
1PA	PHENYLMETHYLACETIC ACID ALANINE	I	1BHF	0.77
IN4	+/-METHYL 4-(AMINOIMINOMETHYL)- BETA-[3- INH (AMINOIMINO)PHENYL]BENZENE PENTANOATE	A	1AZ8	0.75
IOY	P-IODO-D-PHENYLALANINE	A	1XBU	0.73
059	(2S)-2-[3-(AMINOMETHYL)PHENYL]- 3-{(S)-HYDROXY[(1R)-2-METHYL-1- {[(2-PHENYLETHYL)SULFONYL]AMINO}PROPYL]PHOSPHORYL}PROPANOIC ACID	A	2PJ6	0.71
FLP	FLURBIPROFEN	A,B,C,D	3PGH	0.73
FLP	FLURBIPROFEN	A,B	1CQE	0.73
FLP	FLURBIPROFEN	A,B	1EQH	0.73
FLP	FLURBIPROFEN	A,B	2AYL	0.73
FLP	FLURBIPROFEN	A	1DVT	0.73
FLP	FLURBIPROFEN	A	1R9O	0.73
CXA	PHENYLALANINE-N-SULFONAMIDE	A	1IY7	0.72
DPN	D-PHENYLALANINE	P	1MCS	0.75
DPN	D-PHENYLALANINE	A	1GOE	0.75
DPN	D-PHENYLALANINE	A	2RM9	0.75
DPN	D-PHENYLALANINE	A	1SOC	0.75
DPN	D-PHENYLALANINE	B,C,E,F	1SFQ	0.75
DPN	D-PHENYLALANINE	I	1ABJ	0.75
DPN	D-PHENYLALANINE	P	1DWE	0.75
DPN	D-PHENYLALANINE	I,M	1HLT	0.75
DPN	D-PHENYLALANINE	A,H,L	1J9C	0.75
DPN	D-PHENYLALANINE	I,T	1TMB	0.75
DPN	D-PHENYLALANINE	A	2JRY	0.75
DPN	D-PHENYLALANINE	A	2SOC	0.75
DPN	D-PHENYLALANINE	A	2YYF	0.75
DPN	D-PHENYLALANINE	I	2HGT	0.75
DPN	D-PHENYLALANINE	A,D	2Q3I	0.75
DPN	D-PHENYLALANINE	A,P	1MCD	0.75
DPN	D-PHENYLALANINE	P	1HAO	0.75
DPN	D-PHENYLALANINE	A,B,I	1Z8J	0.75
DPN	D-PHENYLALANINE	A,B,C	2PGQ	0.75
DPN	D-PHENYLALANINE	C,D,H,I,L,M, X,Y	1DVA	0.75
DPN	D-PHENYLALANINE	P	1NRR	0.75
DPN	D-PHENYLALANINE	I	1PPB	0.75
DPN	D-PHENYLALANINE	C,D,G,H	1NU7	0.75
DPN	D-PHENYLALANINE	I	2HPP	0.75
DPN	D-PHENYLALANINE	B,C	2OD3	0.75
DPN	D-PHENYLALANINE	A	1B0Q	0.75
DPN	D-PHENYLALANINE	B,C,E,F	1NU9	0.75
DPN	D-PHENYLALANINE	A,B,I	1Z8I	0.75
DPN	D-PHENYLALANINE	H,I,J	1TMU	0.75
DPN	D-PHENYLALANINE	A,B,C,D,E,F	2DNS	0.75
DPN	D-PHENYLALANINE	A	1GO9	0.75
DPN	D-PHENYLALANINE	B,C,E,F	1A0H	0.75
DPN	D-PHENYLALANINE	P	1MCF	0.75
DPN	D-PHENYLALANINE	A	2RME	0.75
DPN	D-PHENYLALANINE	H,I	1TMT	0.75
DPN	D-PHENYLALANINE	I	1ABI	0.75
DPN	D-PHENYLALANINE	R	1NRQ	0.75
DPN	D-PHENYLALANINE	B,C,F,G	2A1D	0.75
DPN	D-PHENYLALANINE	A,B	2Q33	0.75
DPN	D-PHENYLALANINE	C,H,L	1DAN	0.75
DPN	D-PHENYLALANINE	P	1MCE	0.75
DPN	D-PHENYLALANINE	B,C,E,F	2A45	0.75
DPN	D-PHENYLALANINE	A	2RMI	0.75
DPN	D-PHENYLALANINE	A,B,I	1TQ7	0.75
DPN	D-PHENYLALANINE	A	1W7M	0.75
DPN	D-PHENYLALANINE	P	1HAP	0.75
DPN	D-PHENYLALANINE	A,B	1ORF	0.75
DPN	D-PHENYLALANINE	I	1IHS	0.75
DPN	D-PHENYLALANINE	P	1MCC	0.75
DPN	D-PHENYLALANINE	A	2RMD	0.75
DPN	D-PHENYLALANINE	A	2JQB	0.75
DPN	D-PHENYLALANINE	I	2HPQ	0.75
DPN	D-PHENYLALANINE	C,E,F	1SHH	0.75
DPN	D-PHENYLALANINE	A,I	1CVR	0.75
DPN	D-PHENYLALANINE	L,P	1AUT	0.75
DPN	D-PHENYLALANINE	P	1MCI	0.75
DPN	D-PHENYLALANINE	H,I	3F6U	0.75
DPN	D-PHENYLALANINE	A	1BFW	0.75
DPN	D-PHENYLALANINE	H,I	1HAI	0.75
DPN	D-PHENYLALANINE	B,C	2THF	0.75
DPN	D-PHENYLALANINE	I	1IHT	0.75
DPN	D-PHENYLALANINE	A,P	1MCJ	0.75
DPN	D-PHENYLALANINE	A	1TKH	0.75
DPN	D-PHENYLALANINE	C,H,L,T	2FIR	0.75
DPN	D-PHENYLALANINE	A	2FMZ	0.75
DPN	D-PHENYLALANINE	A	1YL9	0.75
DPN	D-PHENYLALANINE	I	1HUT	0.75
DPN	D-PHENYLALANINE	I	1FXY	0.75
DPN	D-PHENYLALANINE	A	1YL8	0.75
DPN	D-PHENYLALANINE	C,H,L	1QFK	0.75
DPN	D-PHENYLALANINE	P	1MCB	0.75
FRF	PHE-REDUCED-PHE	A,I	1GVX	0.73
TFQ	4-(2,2,2-TRIFLUOROETHYL)-L-PHENYLALANINE	A	3D6V	0.73
PBF	PARA-(BENZOYL)-PHENYLALANINE	A	2FR9	0.75
PBF	PARA-(BENZOYL)-PHENYLALANINE	A,B	1EEN	0.75
PBF	PARA-(BENZOYL)-PHENYLALANINE	A	2HGZ	0.75
PBF	PARA-(BENZOYL)-PHENYLALANINE	A	2FRB	0.75
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
4PH	4-methyl-L-phenylalanine	B,C	3BV9	0.76
2UN	{4-[2-BENZYL-3-METHOXY-2-(METHOXYCARBONYL)- 3-OXOPROPYL]PHENYL}SULFAMIC ACID	A,B	2H02	0.71
BIF	(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACID	G,M,P,S	1YYL	0.79
BIF	(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACID	G,M,P,S	2I5Y	0.79
IGL	ALPHA-AMINO-2-INDANACETIC ACID	A	1BDK	0.72
BR4	6-PHENYL-4(R)-(7-PHENYL-HEPTANOYLAMINO)- HEXANOIC ACID	A	1KQU	0.73
PHI	IODO-PHENYLALANINE	A	1TF9	0.73
PHI	IODO-PHENYLALANINE	A,B,C,D	1ORW	0.73
PHI	IODO-PHENYLALANINE	A	1T6H	0.73
PHI	IODO-PHENYLALANINE	A,B,C	1NLU	0.73
PHI	IODO-PHENYLALANINE	A,I	1GA1	0.73
PHI	IODO-PHENYLALANINE	A,I	1GA4	0.73
PHI	IODO-PHENYLALANINE	P	1CZI	0.73
PM3	2-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)- PROPIONIC ACID	A,L,M	3FEA	0.7
PM3	2-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)- PROPIONIC ACID	P	1CWD	0.7
PM3	2-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)- PROPIONIC ACID	L	3FE7	0.7
PM3	2-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)- PROPIONIC ACID	B	2GV2	0.7
PM3	2-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)- PROPIONIC ACID	B,D	1CWE	0.7
MEA	N-METHYLPHENYLALANINE	A	2PIL	0.72
MEA	N-METHYLPHENYLALANINE	A,B,C,D	1H0I	0.72
MEA	N-METHYLPHENYLALANINE	A,B,I	1DOJ	0.72
864	(2S)-2-[3-(AMINOMETHYL)PHENYL]- 3-[(R)-[(1R)-1-{[(BENZYLOXY)CARBONYL]AMINO}- 2-METHYLPROPYL](HYDROXY)PHOSPHORYL]PROPANOIC ACID	A,B,C	2PJ2	0.7
IAM	4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE	A	1XY5	0.71
IAM	4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE	A	1XY8	0.71
IAM	4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE	A	1XY9	0.71
IAM	4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE	A	1XXZ	0.71
IAM	4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE	A	1XY4	0.71
IAM	4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE	A	1XY6	0.71
MFD	(2S,3S,8S,9S)-3-AMINO-9-METHOXY- 2,6,8-TRIMETHYL-10-PHENYLDECA-4,6- DIENOIC ACID	A	1AY3	0.78
DFA	DIPHENYLACETIC ACID	A,B,C	1GMY	0.75
ZYZ	(4-{(2S)-2-[(tert-butoxycarbonyl)amino]- 3-methoxy-3-oxopropyl}phenyl)methaneseleninic acid	A	3D9C	0.72
PFF	4-FLUORO-L-PHENYLALANINE	A	3F3C	0.73
PFF	4-FLUORO-L-PHENYLALANINE	A,C,E,F	2UUE	0.73
PFF	4-FLUORO-L-PHENYLALANINE	A	1ZNT	0.73
PFF	4-FLUORO-L-PHENYLALANINE	F,H	1OL1	0.73
PFF	4-FLUORO-L-PHENYLALANINE	A,C,F,H	2C5V	0.73
PFF	4-FLUORO-L-PHENYLALANINE	E,F	1OL2	0.73
ZAB	(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID	A,B	2H3S	0.71
ZAB	(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID	A,B,C,D	2H4B	0.71
NHL	(4S)-4-(2-NAPHTHYLMETHYL)-D-GLUTAMIC ACID	A	2OHV	0.72
PHA	PHENYLALANINAL	A,B	1OB2	0.7
PHA	PHENYLALANINAL	V,Y,Z	2WDG	0.7
PHA	PHENYLALANINAL	V,Y,Z	2WDK	0.7
PHA	PHENYLALANINAL	1,2,4,5,A,B, C,D,E,J,K,L, M,N,O,P,R,S, T,U,V,Z	1M90	0.7
PHA	PHENYLALANINAL	P	3SGA	0.7
PHA	PHENYLALANINAL	A,B,C,D,E,F	1OB5	0.7
PHA	PHENYLALANINAL	V,Y,Z	2WDM	0.7
PHA	PHENYLALANINAL	0,2,4,9,A,B, C,H,I,J,K,L, M,N,P,Q,R,S, T,X,Y,Z	1KQS	0.7
PHA	PHENYLALANINAL	A,B	1KDV	0.7
PHA	PHENYLALANINAL	1,2,4,5,6,A, B,C,D,E,J,K, L,M,N,O,P,R, S,T,U,V,Z	1Q86	0.7
PHA	PHENYLALANINAL	A,B	1KDY	0.7
PHA	PHENYLALANINAL	V,Y,Z	3FIC	0.7
PHA	PHENYLALANINAL	V,Y,Z	2WDH	0.7
PHA	PHENYLALANINAL	A,B	1KE2	0.7
BFL		A,B	1Q4G	0.75
0A9	methyl L-phenylalaninate	A	1AY2	0.79
0A9	methyl L-phenylalaninate	I	5ER1	0.79
0A9	methyl L-phenylalaninate	I,P	1HDT	0.79
EAB	(3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID	A,B	2H3T	0.71
PSA	3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACID	I	1EPL	0.73
PSA	3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACID	A,B,C,D	2IFW	0.73
PSA	3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACID	E,I	1EPM	0.73
KI2	3-BENZYLOXYCARBONYLAMINO-2-HYDROXY- 4-PHENYL-BUTYRIC ACID	A,B,I,J	1NH0	0.7
KI2	3-BENZYLOXYCARBONYLAMINO-2-HYDROXY- 4-PHENYL-BUTYRIC ACID	I	1U8G	0.7
CT2	1-(PHENYLMETHYL)CYCLOPENTYL[(1S)- 1-FORMYLPENTYL]CARBAMATE	A	2AUZ	0.73
BZM	BENZOIC ACID PHENYLMETHYLESTER	A,B	1DZM	0.71