MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03424801

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
OXE	ORTHO-XYLENE	A,B	3E0X	0.75
OXE	ORTHO-XYLENE	A	188L	0.75
MQ7	MENAQUINONE-7	C,H,L,M	1PRC	0.77
MQ7	MENAQUINONE-7	A,B,D,M,N,P	2B76	0.77
MQ7	MENAQUINONE-7	C,H,L,M	5PRC	0.77
MQ7	MENAQUINONE-7	C,H,L,M	7PRC	0.77
MQ7	MENAQUINONE-7	C,H,L,M	2PRC	0.77
MQ7	MENAQUINONE-7	C,H,L,M	1R2C	0.77
MQ7	MENAQUINONE-7	A,B,C,E,F,G	2VPW	0.77
MQ7	MENAQUINONE-7	C,H,L,M	3PRC	0.77
MQ7	MENAQUINONE-7	A,B,D,M,N,O,P	1L0V	0.77
MQ7	MENAQUINONE-7	C,H,L,M	2JBL	0.77
MQ7	MENAQUINONE-7	C,H,L,M	6PRC	0.77
HY1	PHENYLACETALDEHYDE	D,H	2I0S	0.85
HY1	PHENYLACETALDEHYDE	A,B	1D6Y	0.85
HY1	PHENYLACETALDEHYDE	A,B	1D6Z	0.85
HY1	PHENYLACETALDEHYDE	D,H	2OK4	0.85
HY1	PHENYLACETALDEHYDE	A,B	1D6U	0.85
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
PCS	PHENYLALANYLMETHYLCHLORIDE	B,D	1DLK	0.7
PCS	PHENYLALANYLMETHYLCHLORIDE	A	1XQX	0.7
PQN	PHYLLOQUINONE	A,B,C,F,I,J, K,L,M,X	1JB0	0.79
PQN	PHYLLOQUINONE	1,2,3,4,A,B, C,F,G,H,I,J, K,L	2O01	0.79
PQN	PHYLLOQUINONE	A,B,C,F,K,L	2PPS	0.79
PQN	PHYLLOQUINONE	A,B,C,F,K,L	1C51	0.79
PQN	PHYLLOQUINONE	0,1,2,3,4,5, 6,7,8,9,A,B, C,F,G,H,J,K, L,P,Q,R,U,V, W,Z	1QZV	0.79
PBP	1-(4-BROMO-PHENYL)-ETHANONE	A,B	2OK9	0.74
PBP	1-(4-BROMO-PHENYL)-ETHANONE	A,B	1Z76	0.74
PBP	1-(4-BROMO-PHENYL)-ETHANONE	A	1BK9	0.74
I4B	ISOBUTYLBENZENE	A	184L	0.77
1PB	1,4-DIPHENYL-2-BUTENE	A,B	1OJ9	0.8
NFA	PHENYLALANINE AMIDE	A,B,C,D	2BTJ	0.71
NFA	PHENYLALANINE AMIDE	A,B,C,D,E,F	2EFX	0.71
NFA	PHENYLALANINE AMIDE	A,B,C,D	2VVJ	0.71
NFA	PHENYLALANINE AMIDE	A	2A4O	0.71
NFA	PHENYLALANINE AMIDE	A,B	1XAE	0.71
NFA	PHENYLALANINE AMIDE	A,B,C,D	2OGR	0.71
NFA	PHENYLALANINE AMIDE	A,B,C,D	1QA7	0.71
NFA	PHENYLALANINE AMIDE	A,B,C,D	2GW4	0.71
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.77
NPY	NAPHTHALENE	A,B	1O7G	0.73
791	2-PHENYLMALONIC ACID	A	1O4P	0.7
MQ9	MENAQUINONE-9	C,H,L,M	3D38	0.77
MQ9	MENAQUINONE-9	C,H,L,M	1VRN	0.77
MQ9	MENAQUINONE-9	C,H,L,M	2I5N	0.77
MQ9	MENAQUINONE-9	C,H,L,M,U	1DXR	0.77
DPH	DEAMINO-METHYL-PHENYLALANINE	A	1OS0	0.77
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJI	0.77
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJJ	0.77
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2VS2	0.77
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	1OD1	0.77
DPH	DEAMINO-METHYL-PHENYLALANINE	E	1EPR	0.77
BIP	2-BENZYL-3-IODOPROPANOIC ACID	A,B,C,D	1BAV	0.75
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
PPY	3-PHENYLPYRUVIC ACID	A,B	2Q5O	0.77
PPY	3-PHENYLPYRUVIC ACID	A,B	1LCO	0.77
PPY	3-PHENYLPYRUVIC ACID	A,B,C,D,E,F	2ZF4	0.77
PPY	3-PHENYLPYRUVIC ACID	A,B	1BW9	0.77
PPT	3-(P-TOLYL)PROPIONIC ACID	A,B	2AY4	0.75
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	0.7
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	A,B	1C1X	0.7
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	0.7
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	0.7
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1QRP	0.7
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	A	2CTC	0.7
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1E82	0.7
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1E81	0.7
173	BENZOYL-FORMIC ACID	A,B	1SZE	0.7
HPZ	(2E,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA- 2,4-DIENOIC ACID	A	2PUJ	0.71
MQ8	MENAQUINONE 8	C,H,L,M	1EYS	0.77
PHM	PHENYLALANYLMETHANE	A,I	1PJP	0.76
PHM	PHENYLALANYLMETHANE	A,B,C	2J9J	0.76
PHM	PHENYLALANYLMETHANE	A,B,C	2JE4	0.76
KPV	5-PHENYL-2-KETO-VALERIC ACID	A,B	2Q5Q	0.77
HCI	HYDROCINNAMIC ACID	A,B	1BXG	0.78
HCI	HYDROCINNAMIC ACID	A,B	1TOG	0.78
HCI	HYDROCINNAMIC ACID	A,B	1V2F	0.78
HCI	HYDROCINNAMIC ACID	A,B	1AHX	0.78
HCI	HYDROCINNAMIC ACID	A	1TOI	0.78
HCI	HYDROCINNAMIC ACID	A,B	1AY8	0.78
HCI	HYDROCINNAMIC ACID	A	1TOJ	0.78
CLT	4-PHENYL-BUTANOIC ACID	A	1THL	0.77
CLT	4-PHENYL-BUTANOIC ACID	A,B	2AY7	0.77
CLT	4-PHENYL-BUTANOIC ACID	E,I	1TMN	0.77
HPX	(2Z,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA- 2,4-DIENOIC ACID	A,B,C,D	2DSA	0.71
AC0	1-PHENYLETHANONE	A	1ZK1	0.85
AC0	1-PHENYLETHANONE	A	1ZK4	0.85
PHA	PHENYLALANINAL	A,B	1OB2	0.71
PHA	PHENYLALANINAL	V,Y,Z	2WDG	0.71
PHA	PHENYLALANINAL	V,Y,Z	2WDK	0.71
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	0.71
PHA	PHENYLALANINAL	P	3SGA	0.71
PHA	PHENYLALANINAL	A,B,C,D,E,F	1OB5	0.71
PHA	PHENYLALANINAL	V,Y,Z	2WDM	0.71
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	0.71
PHA	PHENYLALANINAL	A,B	1KDV	0.71
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	0.71
PHA	PHENYLALANINAL	A,B	1KDY	0.71
PHA	PHENYLALANINAL	V,Y,Z	3FIC	0.71
PHA	PHENYLALANINAL	V,Y,Z	2WDH	0.71
PHA	PHENYLALANINAL	A,B	1KE2	0.71
BTP	2-THIOMETHYL-3-PHENYLPROPANOIC ACID	A,B	1JAO	0.72
VK3	MENADIONE	A	1TUV	0.79
VK3	MENADIONE	A,B	2QR2	0.79
DEN	INDENE	A	183L	0.72
BP4	BIPHENYL-4-YL-ACETALDEHYDE	A,B,E,F,G,H	1MHW	0.83
FPR	PROPYLBENZENE	C	1RHK	0.77
M5P	(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACID	A,B	2YZ3	0.74
HBX	benzaldehyde	A,B	3GDN	0.76
MBN	TOLUENE	A,B	3D7O	0.74
MBN	TOLUENE	A,B	1R1X	0.74
MBN	TOLUENE	A,B	1JLX	0.74
MBN	TOLUENE	A,B,C,D	3D17	0.74
MBN	TOLUENE	A,B	2VRL	0.74
MBN	TOLUENE	A,I	2Z3E	0.74
MBN	TOLUENE	A,B	1YZI	0.74
MBN	TOLUENE	A,B	2DN1	0.74
MBN	TOLUENE	A,B	3EN1	0.74
PXY	PARA-XYLENE	A	187L	0.74
PXY	PARA-XYLENE	A	225L	0.74
BZQ	DIPHENYLMETHANONE	A,B	1GT5	0.87
BZQ	DIPHENYLMETHANONE	A,B	1DZP	0.87
DFA	DIPHENYLACETIC ACID	A,B,C	1GMY	0.76
1LP	TRANYLCYPROMINE	A,B	1OJB	0.83
PBA	PHENYLETHANE BORONIC ACID	C,G	6CHA	0.77
9TA	1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)- ETHYLAMINO]-ANTHRAQUINONE	A,B	1FDG	0.79
PAC	2-PHENYLACETIC ACID	B	1PNL	0.75
PAC	2-PHENYLACETIC ACID	B	1K5Q	0.75
PAC	2-PHENYLACETIC ACID	B	1FXH	0.75
PAC	2-PHENYLACETIC ACID	A	2ISF	0.75
PAC	2-PHENYLACETIC ACID	A	2INE	0.75
3PL	3-PHENYLPROPANAL	E	1Y3G	0.86
BZS	L-BENZYLSUCCINIC ACID	A	1CBX	0.73
BZS	L-BENZYLSUCCINIC ACID	A	1HYT	0.73
BZS	L-BENZYLSUCCINIC ACID	A,B	1WHT	0.73
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
BBA	2,7-BIS-(4-AMIDINOBENZYLIDENE)- CYCLOHEPTAN-1-ONE	A,B	1A5H	0.71
BBA	2,7-BIS-(4-AMIDINOBENZYLIDENE)- CYCLOHEPTAN-1-ONE	T	1V2N	0.71
DMW	2,3-DIMETHYL-1,4-NAPHTHOQUINONE	A,B,C,D,E,F	2BS4	0.79
FL2	FLURBIPROFEN METHYL ESTER	A,B	1HT5	0.71
HBC	(2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT- 2-YL)-PHENYL-METHANONE	H	1JGU	0.71
HPK	(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATE	A	2PUH	0.77
ANQ	ACENAPHTHENEQUINONE	H,J	1OAX	0.73
N4B	N-BUTYLBENZENE	A	186L	0.77
HPQ	HOMOPHENYLALANINYLMETHANE	B	1EWP	0.76
PYL	PHENYLETHANE	C	1B07	0.77
PYL	PHENYLETHANE	A,B	2VRM	0.77
PYL	PHENYLETHANE	A	1NHB	0.77
BDB		A,B	1KE3	0.76
BFL		A,B	1Q4G	0.74
HZH	1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan- 2-one	A,B	3DEA	0.73
LEG	1-(4-HEXYLPHENYL)PROP-2-EN-1-ONE	A,B	2PIN	0.84